data_2jrc_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 2jrc _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 ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.425 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.5 Cg_endo -75.0 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -135.08 141.7 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.373 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -114.68 141.49 47.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 16.1 t -126.85 143.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.476 ' CG1' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.71 120.91 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.81 109.13 3.78 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.443 1.089 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.599 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -95.42 117.03 29.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -140.54 -144.99 4.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' HIS . 40.1 t-20 -136.12 129.08 17.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.557 1.82 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.67 -110.48 1.09 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -176.69 -136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m120 57.83 -80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -75.51 -17.38 60.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.11 -25.07 62.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 109.308 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.468 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -57.72 -31.78 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 p -76.86 35.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.601 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.7 mmp_? 58.6 14.24 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.4 t-160 -66.25 9.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.601 ' H ' ' C ' ' A' ' 21' ' ' ARG . 4.1 t-20 -130.62 41.22 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -63.41 -49.88 72.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.71 -46.36 67.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.604 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -79.18 -25.78 42.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.727 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 3.3 t -73.67 -42.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -37.93 37.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.06 89.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.17 -45.65 87.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -56.46 -60.65 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.64 -24.56 63.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . . . -75.76 -54.37 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.56 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -53.77 7.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.75 93.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -9.51 77.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.17 144.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 85.71 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.72 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 74.3 m-85 -61.6 -179.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.35 -165.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -152.05 118.88 5.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.401 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 9.6 t-160 -176.07 -127.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' H ' ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 69.93 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -45.6 -26.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.503 ' CB ' HD21 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -77.85 -49.69 13.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.053 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.52 54.37 1.34 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -135.46 -179.62 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 2.6 tp10 -84.91 149.34 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.59 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.8 p -174.72 167.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.72 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -169.95 146.96 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.58 151.31 21.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.463 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -146.53 131.04 3.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -107.42 131.06 54.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 110.297 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 170.46 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' A' ' 177' ' ' ILE . . . 43.66 28.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 59.52 42.17 97.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' SER . 5.3 tpm_? -176.98 155.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.87 165.98 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 1.4 pp -145.09 126.0 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.3 t -108.9 98.57 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -96.49 113.23 24.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.467 ' N ' HD21 ' A' ' 62' ' ' LEU . . . -121.75 169.72 10.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.62 116.84 0.15 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.735 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.89 -156.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.7 mmt180 -88.89 -87.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -42.43 -24.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.306 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 72' ' ' SER . 25.2 m-85 62.56 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.7 ttt -28.68 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.11 -36.19 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 74' ' ' ARG . 2.2 mt-10 -59.11 -33.15 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.884 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.2 t -76.5 -53.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.615 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.68 -50.91 8.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.977 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.25 -49.24 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -44.77 -49.71 10.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.796 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.9 mm -68.01 -46.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.32 -68.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.977 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.95 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.74 -39.44 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.796 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -50.44 57.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -16.56 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -76.95 -43.15 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.45 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 9.0 m-85 -87.32 -17.11 33.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.3 p 55.13 53.05 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 61.7 t -94.17 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.41 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -90.34 164.34 27.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 18.2 Cg_endo -75.03 -33.96 4.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.5 0.86 15.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 6' ' ' LEU . 81.4 m-20 -108.91 -28.74 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 47.3 mt -88.52 132.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 93' ' ' ILE . 1.1 pt -134.64 118.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 93' ' ' ILE . 12.9 p -102.09 123.76 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.739 ' CD1' ' N ' ' A' ' 93' ' ' ILE . 0.2 OUTLIER -98.53 141.86 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.599 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.0 t-160 -157.34 178.55 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.476 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -108.91 145.41 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.1 t0 -155.81 153.98 30.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 150' ' ' VAL . 1.0 OUTLIER -91.94 116.2 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 138' ' ' GLY . 29.3 t0 -118.62 -60.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 138' ' ' GLY . 6.6 mt -132.81 -105.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.78 176.66 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.4 ' O ' ' CD ' ' A' ' 161' ' ' GLU . 3.0 m-85 -91.64 70.31 5.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.0 40.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -132.85 164.82 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.477 HG22 ' CD1' ' A' ' 165' ' ' ILE . 1.8 pt -121.97 164.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.7 tpt180 -149.12 97.72 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.216 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.59 127.49 52.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -147.8 177.97 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -105.93 -83.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.486 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -65.3 -53.74 31.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -47.15 129.14 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.14 -163.44 37.15 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 51.0 80.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.69 49.83 0.86 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 106.72 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.83 129.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.589 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -55.45 -42.78 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.01 -59.49 10.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.593 ' CD2' ' CD2' ' A' ' 10' ' ' LEU . 11.5 mt -53.79 -46.37 71.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' HG11 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.65 -31.87 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 44.5 t -72.45 -27.74 62.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.615 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.82 -42.59 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -63.98 -43.54 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.428 ' N ' HG11 ' A' ' 122' ' ' VAL . . . -73.04 -36.29 66.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.54 -47.15 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.628 ' CD2' ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -82.21 -20.94 36.76 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.16 3.89 88.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 68.38 121.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.3 tmtt? -141.13 13.99 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.536 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 3.4 t70 83.82 19.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.628 ' CE1' ' CD2' ' A' ' 125' ' ' LEU . 80.6 m-85 -46.68 162.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.458 ' CG ' HD11 ' A' ' 108' ' ' ILE . 72.3 mt-30 -94.44 156.45 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.81 149.29 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.613 ' HB ' HD12 ' A' ' 93' ' ' ILE . 64.3 t -132.29 85.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -89.07 145.02 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 94' ' ' HIS . 4.5 mp -96.15 149.91 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.456 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -94.17 94.53 1.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.589 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.4 pp -106.48 94.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.468 ' O ' ' CA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.37 92.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' A' ' 152' ' ' GLU . 0.8 OUTLIER -76.16 -21.79 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.052 . . . . 0.0 110.957 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -82.22 -26.17 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 40.6 mt -103.3 50.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.313 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 28.2 mt-10 -77.39 -105.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.603 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.1 t30 157.07 51.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.631 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -69.29 29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.603 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.3 OUTLIER -20.14 -52.8 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.528 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.99 -70.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.5 1.789 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.631 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.87 -39.57 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 162' ' ' VAL . 8.8 mm-40 -74.35 -32.77 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.016 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.37 -44.22 88.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.73 -34.03 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.61 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.8 mm-40 -74.74 -37.05 62.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.643 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -54.24 -52.11 71.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.016 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -25.96 11.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -64.02 -59.81 4.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.569 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.82 -53.4 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 61.6 m -44.76 -46.41 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 108.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.4 tt0 -62.06 -44.73 96.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.179 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.509 ' O ' ' CG1' ' A' ' 188' ' ' VAL . 0.5 OUTLIER -66.24 -47.95 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.53 77.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -62.17 -40.96 97.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.11 -44.49 76.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.524 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.74 -41.38 86.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.8 m -63.98 -52.21 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -57.12 -48.25 79.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.7 -38.51 90.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.454 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 5.0 tt -55.5 -44.51 76.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.461 HG23 ' CB ' ' A' ' 56' ' ' ALA . 84.7 mt -74.73 -26.08 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.99 -41.25 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.87 -72.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.59 176.38 35.51 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.566 1.166 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 184' ' ' ALA . 0.0 OUTLIER -87.7 -19.96 26.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 0.733 . . . . 0.0 110.994 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.549 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -45.51 -48.58 36.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.1 -39.09 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.563 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.23 -37.15 86.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.581 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.5 tt0 -72.92 -40.56 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.54 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 25.3 t-20 -78.57 -21.21 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.2 ttt-85 -95.62 -52.84 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.679 ' O ' ' CE3' ' A' ' 191' ' ' TRP . 16.8 t -88.26 -59.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.581 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.0 t-80 -66.64 22.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.653 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.675 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -105.38 -33.47 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.679 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.444 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 164.75 32.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -130.8 139.24 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -109.33 144.63 37.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.48 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 24.3 t -131.53 144.55 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.93 119.67 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.36 109.77 3.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.608 HD11 ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.02 101.6 13.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.86 -144.09 7.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -132.49 122.42 17.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.453 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -74.99 -160.38 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -33.79 102.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.94 106.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -52.73 -22.84 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -81.71 -19.63 41.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.073 . . . . 0.0 110.956 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -52.47 -24.68 8.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.522 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -58.57 -12.03 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.217 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 70.0 p -75.59 26.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.588 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.2 mtp180 69.03 -0.97 2.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.438 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -65.92 7.91 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.588 ' H ' ' C ' ' A' ' 21' ' ' ARG . 62.0 t30 -124.49 29.52 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -51.36 -43.37 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -50.33 -60.95 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CG ' ' OH ' ' A' ' 68' ' ' TYR . 1.4 t80 -78.07 -20.54 52.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 0.787 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.567 ' N ' ' O ' ' A' ' 23' ' ' ASN . 9.6 t -74.28 -38.78 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.452 ' CG2' HD11 ' A' ' 24' ' ' LEU . 2.3 t -78.24 -51.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.86 73.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 32.3 t0 -69.17 -49.38 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.39 -55.33 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.61 -53.42 54.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.513 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -60.78 -25.9 66.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -71.33 -34.81 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -92.29 -45.17 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -170.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -93.51 36.18 3.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.612 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -22.7 121.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.53 67.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.67 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 1.2 p90 -139.76 -157.81 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 -164.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -123.15 124.5 43.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -58.06 143.26 44.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -97.19 -58.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.8 ttt180 -37.8 -38.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.533 ' CB ' ' CD1' ' A' ' 79' ' ' LEU . 99.3 p -94.95 -49.34 5.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.89 66.2 0.96 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -172.02 164.8 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.7 mm-40 -71.31 144.51 49.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.84 109.49 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.67 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -118.87 111.12 18.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 126.45 31.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.05 124.04 5.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtm105 -140.89 95.27 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.9 -168.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.82 20.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.74 43.42 59.49 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' CB ' HG22 ' A' ' 177' ' ' ILE . 0.3 OUTLIER 176.39 154.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.49 -178.88 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER 175.28 103.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.412 ' CG1' HD11 ' A' ' 6' ' ' LEU . 25.2 t -99.01 110.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.48 ' CD2' ' HB ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -97.79 106.34 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' C ' ' CD ' ' A' ' 64' ' ' LYS . . . -126.92 166.25 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.519 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 179.51 124.71 0.22 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -157.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.409 1.742 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 55.2 mmt-85 -79.14 -84.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -45.57 -20.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 62.26 -81.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.506 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 7.0 ttm -35.99 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.073 . . . . 0.0 111.058 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.661 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 52.7 m-20 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -50.93 -44.86 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -65.86 -49.47 68.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.621 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.21 -52.3 6.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.92 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.47 -53.52 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 10.3 mm-40 -44.09 -48.92 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.51 -45.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.56 -68.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.92 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.97 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.533 ' CD1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.72 -41.37 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.48 -48.0 68.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -17.61 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -74.79 -43.2 55.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -79.62 -5.16 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.7 t 53.31 46.86 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.55 159.46 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.29 164.27 36.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.236 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.405 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.1 Cg_endo -75.11 -30.51 6.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.51 -4.93 12.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 6' ' ' LEU . 71.7 m-20 -111.49 -25.05 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 50.9 mt -90.67 133.27 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 131' ' ' GLN . 0.5 OUTLIER -135.64 140.7 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.242 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 5.4 p -124.95 132.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -112.2 147.98 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.608 ' CD2' HD11 ' A' ' 10' ' ' LEU . 9.4 t-160 -156.68 173.18 17.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.507 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -109.3 145.61 35.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.5 t0 -156.67 152.41 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.53 103.76 11.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -100.68 -76.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.455 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 3.6 mt -136.23 -80.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.3 mt-10 -92.0 166.91 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 5.1 t80 -96.21 99.43 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.46 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . 125.43 50.51 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.664 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -136.79 127.76 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.797 . . . . 0.0 110.36 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.49 HD13 ' CB ' ' A' ' 169' ' ' ALA . 1.2 pt -92.06 153.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.3 ttt85 -144.04 111.61 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.49 143.15 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 ttmt -160.42 172.59 16.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.444 ' C ' ' CD1' ' A' ' 108' ' ' ILE . 0.1 OUTLIER -131.45 -90.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.93 -22.51 6.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -39.75 -72.9 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 112.08 -175.6 17.32 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -88.39 91.87 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.55 -48.8 3.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.33 75.47 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.7 132.08 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -42.13 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.63 -60.36 8.89 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.571 1.169 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.42 -41.81 61.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.221 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 122' ' ' VAL . 4.3 ttt-85 -62.73 -34.49 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -74.39 -30.31 61.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.548 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 9.4 t -72.34 -41.92 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -68.07 -40.64 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 122' ' ' VAL . . . -71.75 -36.81 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.31 -45.72 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 16.7 mt -84.79 -22.5 29.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 69.48 4.18 43.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.437 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 0.2 OUTLIER -95.91 -151.28 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.412 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER 168.05 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -136.04 10.18 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 87' ' ' PRO . 5.7 p90 -81.13 162.25 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 46.9 mt-30 -88.88 156.55 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.236 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -142.82 150.09 39.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 49.0 t -133.72 86.38 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -90.26 144.84 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.384 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 3.9 mp -105.48 146.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.664 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -97.23 98.07 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.7 pp -107.99 84.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.53 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.414 ' O ' ' HG3' ' A' ' 152' ' ' GLU . 1.4 t80 -77.08 -32.29 56.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -27.71 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.481 ' C ' HG22 ' A' ' 20' ' ' THR . 27.0 mt -88.13 36.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 149' ' ' PHE . 35.6 mt-10 -106.81 -119.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' A' ' 155' ' ' THR . 59.4 t30 166.22 96.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.64 ' O ' ' C ' ' A' ' 155' ' ' THR . 0.6 OUTLIER -71.98 34.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.009 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.64 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -14.68 -55.42 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.442 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.615 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.0 -75.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.587 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -44.9 -34.42 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.76 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -78.59 -32.47 47.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 110.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.974 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.58 -47.63 81.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.44 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.72 -34.51 52.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.591 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.5 tp10 -76.09 -37.57 58.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.76 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.3 t -52.15 -50.81 76.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.163 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.974 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.02 -28.13 9.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 13.6 m -64.64 -59.36 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.587 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.02 -54.66 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 67.7 m -45.46 -47.7 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -59.19 -45.32 91.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.484 ' O ' ' CG1' ' A' ' 188' ' ' VAL . 0.4 OUTLIER -65.8 -46.3 79.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.49 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -67.8 -38.38 83.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.82 -44.86 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 5.3 m-20 -67.22 -43.58 81.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.519 ' CB ' HG21 ' A' ' 188' ' ' VAL . . . -58.89 -39.45 81.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.1 m -63.78 -53.66 47.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.67 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.54 -35.79 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.67 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.72 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 3.2 tt -54.72 -39.92 68.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.41 HG22 ' CB ' ' A' ' 58' ' ' ARG . 8.2 mt -75.98 -34.16 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.441 ' OE1' ' CD ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -54.56 -63.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -128.97 -71.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -152.1 -179.51 27.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.169 . . . . 0.0 111.055 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.5 ptp -92.41 -16.51 25.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.7 mp0 -51.32 -44.37 88.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.05 -38.33 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.86 -33.79 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.03 -41.47 64.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.581 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 19.5 t30 -78.25 -20.32 51.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.87 -52.24 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.671 ' C ' ' H ' ' A' ' 190' ' ' ALA . 19.1 t -88.6 -58.58 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.7 t-80 -67.54 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.671 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -120.54 57.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.479 1.112 . . . . 0.0 108.02 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.01 161.77 38.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.81 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -127.06 138.37 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 89' ' ' ASN . 3.6 tt -105.65 148.27 27.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' VAL . 14.1 t -131.99 142.93 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.459 HG22 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.19 122.15 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.97 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.582 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -84.32 101.91 12.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.15 -160.41 11.8 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 26.2 t-20 -138.3 120.57 10.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.0 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . 43.07 -155.82 0.14 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 81.96 147.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.25 -10.08 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.523 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.6 OUTLIER -84.72 -22.82 29.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.63 75.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 21' ' ' ARG . 1.3 tpt180 -63.4 -22.22 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 1.6 t -78.41 20.35 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER 70.64 14.38 7.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -65.07 7.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.587 ' H ' ' C ' ' A' ' 21' ' ' ARG . 9.1 t-20 -117.82 18.8 13.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -44.71 -42.55 7.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.499 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.21 -58.7 10.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.6 t80 -78.21 -21.55 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.8 t -73.82 -38.79 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.489 ' HB ' ' CD1' ' A' ' 93' ' ' ILE . 2.5 t -76.64 -53.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.519 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -56.94 -37.11 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 34' ' ' ALA . 8.3 t70 -68.7 -47.1 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -48.88 -56.69 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.8 mt -56.48 -52.38 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.518 ' CA ' ' HB3' ' A' ' 38' ' ' ALA . . . -60.48 -21.74 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -77.41 -36.16 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -42.79 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -84.5 15.31 3.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.97 -57.18 0.39 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB3' ' CA ' ' A' ' 33' ' ' ALA . . . 72.37 144.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 81.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.743 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -141.57 -153.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -162.14 -162.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.15 152.55 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -97.54 112.89 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.02 -59.56 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -38.15 -32.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 44' ' ' LYS . 1.1 p -94.84 -47.54 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.05 52.61 1.6 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.528 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -168.05 168.23 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 24.6 tp10 -82.99 151.39 25.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.522 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 4.2 m -143.56 115.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.743 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -117.77 111.46 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.22 126.77 31.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.82 129.07 5.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -140.11 98.75 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.806 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -167.61 -161.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 44.4 25.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 64.71 47.93 78.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.22 155.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.332 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 174.86 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -177.29 105.23 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' VAL . 2.7 t -98.87 109.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.519 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -98.38 108.35 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.66 171.7 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.19 127.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.667 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' C ' ' N ' ' A' ' 68' ' ' TYR . 32.6 mmt180 -84.39 -85.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -45.83 -21.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.745 ' O ' ' N ' ' A' ' 72' ' ' SER . 14.9 m-85 62.27 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.471 ' O ' ' O ' ' A' ' 68' ' ' TYR . 57.2 ttm -35.11 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.99 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.379 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.607 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.6 mm-40 -56.8 -45.05 82.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 68' ' ' TYR . 31.7 t -67.02 -55.12 15.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.65 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.05 -54.77 3.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.962 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.73 -47.74 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.607 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.3 mm-40 -48.69 -47.72 40.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.777 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.34 -47.2 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.48 -67.06 0.1 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.453 1.096 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.962 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.47 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.41 -40.0 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.777 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.18 -50.36 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -15.76 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.689 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -77.43 -40.23 44.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.478 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 4.1 m-85 -79.34 -8.19 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 p 52.22 46.38 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 89.4 t -103.75 170.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.462 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -79.9 154.04 75.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 131' ' ' GLN . . . -77.46 0.86 21.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 6' ' ' LEU . 60.9 m-20 -99.69 -18.62 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 13.5 mt -89.22 137.27 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.524 ' CD1' HG22 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -137.32 118.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.501 ' CG1' ' HG ' ' A' ' 10' ' ' LEU . 27.5 t -103.1 131.09 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.526 ' CG2' ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -108.58 143.09 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -158.28 177.78 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.38 143.89 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.491 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 6.1 t0 -149.01 151.19 34.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.67 114.59 23.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -110.85 -84.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 -68.42 0.47 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.218 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.53 163.97 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -93.78 25.28 3.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -155.66 51.29 0.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.481 ' CD ' ' O ' ' A' ' 104' ' ' ILE . 3.4 tmm_? -134.72 158.19 44.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.4 pp -122.45 156.98 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.0 ttm180 -142.15 103.09 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.48 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -109.17 132.05 54.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -147.49 179.08 7.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -109.58 -54.27 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.19 20.3 21.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -35.54 -58.57 0.88 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.11 137.83 4.15 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -44.92 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.406 ' N ' ' OE1' ' A' ' 112' ' ' GLU . . . 77.41 97.66 0.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 39.44 -148.21 0.15 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.419 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 14.0 m170 64.6 110.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.64 -36.79 77.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.415 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -61.86 -61.0 7.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.606 ' O ' HG13 ' A' ' 121' ' ' VAL . 11.8 mt -50.39 -42.17 53.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.457 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.2 ttm105 -66.12 -33.24 75.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -74.57 -27.29 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.65 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.96 -43.17 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.64 -44.64 89.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.428 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.81 -37.84 76.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.72 -46.67 71.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.455 HD22 ' CB ' ' A' ' 80' ' ' ALA . 16.0 mt -79.91 -20.79 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.06 5.33 84.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.87 131.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.727 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -169.76 32.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 60.25 96.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 87' ' ' PRO . 59.7 m-85 -123.61 162.42 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 88' ' ' ALA . 20.2 mt-30 -92.45 152.98 19.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -142.08 148.97 39.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.526 ' HB ' ' CG2' ' A' ' 93' ' ' ILE . 3.2 t -134.25 81.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.52 145.99 24.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.1 mp -94.66 149.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.2 85.8 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.137 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.635 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -108.07 94.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.55 83.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -30.43 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.484 HG21 ' CG1' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -65.72 -39.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.413 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 44.5 mt -90.09 39.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.498 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 2.1 tt0 -93.07 -115.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.596 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -175.32 54.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.203 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.642 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -69.27 26.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.596 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -24.4 -51.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.3 Cg_endo -74.95 -69.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.6 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -47.07 -44.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.653 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.38 -29.69 62.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -57.21 -44.91 84.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.442 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -79.68 -33.56 41.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.63 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.8 mm-40 -74.58 -35.59 63.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.653 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -57.13 -53.67 62.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.88 -22.23 15.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.585 1.834 . . . . 0.0 111.066 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.63 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.2 m -62.65 -59.35 5.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -74.79 -44.19 45.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 32.2 m -48.95 -50.44 35.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.9 tt0 -63.75 -48.58 76.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -43.14 99.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -73.01 -33.25 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -49.81 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -40.99 75.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.484 ' HB1' ' CG1' ' A' ' 188' ' ' VAL . . . -64.43 -35.85 82.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 169' ' ' ALA . 22.8 m -65.64 -51.13 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.407 ' O ' ' HB3' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -66.21 -41.06 90.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.455 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.9 tt -54.0 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 17.9 mt -79.49 -18.01 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -62.6 -58.86 6.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -72.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.95 -168.68 20.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.74 -17.69 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -49.77 -47.62 79.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.03 -37.29 2.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.79 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.07 -44.77 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 51.4 t30 -83.79 -20.29 33.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.84 -57.28 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.79 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.8 OUTLIER -71.06 -50.6 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.61 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.09 15.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -94.38 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.528 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 161.51 38.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.26 135.93 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -120.23 138.32 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -126.89 143.26 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -137.35 119.21 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.65 108.92 3.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.081 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -95.13 109.94 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.88 -139.48 4.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' HIS . 18.6 t-20 -135.31 125.85 17.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 41.65 -149.37 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.83 131.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -65.2 -9.77 26.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.61 -16.92 64.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.38 64.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 21' ' ' ARG . 21.4 mmt180 -50.26 -26.94 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.6 p -76.34 16.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.609 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER 76.17 12.4 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -64.06 6.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.0 t-20 -118.74 17.75 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.396 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CD2' ' CG ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -40.77 -55.22 2.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.492 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -40.74 -60.2 2.19 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.417 1.073 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -75.02 -29.78 60.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.506 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -61.59 -42.95 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.46 -38.27 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.378 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.24 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.2 m-20 -66.32 -44.46 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.515 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -49.52 -58.08 5.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -50.05 73.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.532 ' CB ' ' HB1' ' A' ' 38' ' ' ALA . . . -60.71 -26.52 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -70.85 -39.69 72.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -44.26 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.66 -168.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.653 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -95.14 33.81 5.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.653 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -17.22 120.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.82 74.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.752 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -140.76 -155.93 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -155.94 -164.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -125.05 125.1 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.523 ' CD2' HG22 ' A' ' 50' ' ' VAL . 1.4 m170 -57.1 109.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.49 -55.96 10.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -48.18 -51.09 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -48.77 58.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 110.059 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.44 55.23 1.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -169.95 165.47 9.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.51 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 7.0 tp10 -76.55 149.9 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 43' ' ' HIS . 4.7 m -147.19 112.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.752 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -118.27 107.98 14.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.2 125.9 44.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.53 -160.95 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -141.0 109.5 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.443 ' OG ' ' CD2' ' A' ' 60' ' ' LEU . 4.8 m -149.32 177.41 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.563 ' CB ' ' CG2' ' A' ' 177' ' ' ILE . . . 53.79 18.48 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.28 41.21 46.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.2 tpm_? 175.27 158.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 p -55.41 151.08 10.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD2' ' OG ' ' A' ' 55' ' ' SER . 1.6 pp -140.74 122.39 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.515 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 24.4 t -100.52 99.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 51' ' ' ALA . 1.4 tm? -96.87 105.79 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.417 ' C ' ' CG ' ' A' ' 64' ' ' LYS . . . -120.26 177.27 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 175.06 117.62 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.706 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 -157.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 61.1 mmt-85 -79.68 -84.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.58 -18.34 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 108.318 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 23.3 m-85 61.43 -82.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.505 ' CB ' HD11 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -40.47 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.668 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.5 m-20 -68.04 -47.21 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.61 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 3.0 tp10 -48.46 -43.24 34.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 47.3 t -64.79 -55.19 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.62 ' HA2' ' HA ' ' A' ' 121' ' ' VAL . . . -38.83 -52.14 2.54 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.963 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.88 -54.01 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.268 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.61 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.3 mm100 -44.48 -48.35 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -68.48 -46.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.77 -66.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.963 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.06 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -53.99 -41.32 67.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.771 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.43 -50.0 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.97 -16.85 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.69 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -76.22 -38.61 56.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.19 -2.08 39.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 51.33 45.93 27.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.17 163.3 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.452 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -88.86 155.84 49.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 -6.07 17.6 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -15.93 62.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.682 ' O ' ' N ' ' A' ' 6' ' ' LEU . 8.7 p30 -105.17 -16.33 14.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.6 mt -85.98 132.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.49 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.69 120.67 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 58.3 t -103.03 131.68 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.541 ' CG2' ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -111.97 145.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 7.5 t-160 -151.53 177.13 10.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.447 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -99.94 140.12 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.247 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 135' ' ' ILE . 6.3 t0 -149.98 169.69 20.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.6 OUTLIER -107.37 100.99 10.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.469 ' CB ' ' HA3' ' A' ' 136' ' ' GLY . 31.6 t0 -92.98 -72.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 138' ' ' GLY . 3.6 mp -131.59 -90.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 138' ' ' GLY . 30.5 mp0 -88.78 173.47 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -87.2 55.61 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 176.92 48.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -134.53 160.79 36.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.249 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.5 pp -122.63 162.93 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.19 105.36 3.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.489 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.77 131.27 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 132' ' ' ARG . 4.8 tppt? -154.12 164.92 37.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.519 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.3 tp -95.11 -86.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.519 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -64.27 -39.71 97.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 40.3 -153.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -135.86 38.08 1.82 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.429 ' OE1' ' NH2' ' A' ' 119' ' ' ARG . 1.2 mt-10 58.02 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 114' ' ' GLY . . . -65.68 -61.04 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' ND1' ' A' ' 115' ' ' HIS . . . -52.74 -105.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.441 ' NE2' ' CE ' ' A' ' 69' ' ' MET . 2.1 p-80 178.29 -106.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' SER . 0.4 OUTLIER -65.61 -38.35 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.14 -64.11 4.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.612 ' O ' HG12 ' A' ' 121' ' ' VAL . 1.9 mt -52.81 -50.39 63.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.429 ' NH2' ' OE1' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -59.18 -33.22 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 116' ' ' ASN . 33.1 t -70.09 -29.67 66.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.62 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.76 -41.89 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.499 ' N ' HG12 ' A' ' 121' ' ' VAL . 16.5 t -68.28 -32.87 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.06 56.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.2 -44.88 78.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.563 ' CD1' ' CG2' ' A' ' 76' ' ' ILE . 2.7 mt -79.83 -21.02 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.37 3.31 82.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 76.17 129.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.423 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.497 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 2.0 tppt? -171.61 33.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.1 m-20 81.25 101.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -131.51 152.75 50.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -100.95 156.14 17.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.058 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -143.23 150.06 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.541 ' HB ' ' CG2' ' A' ' 93' ' ' ILE . 19.7 t -138.3 87.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.8 mtp180 -91.52 144.18 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 96' ' ' ASP . 3.6 mp -99.3 150.26 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -107.88 95.98 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -107.78 71.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.54 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -25.4 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -27.91 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 52.7 mt -100.18 45.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 14.2 mt-10 -78.54 -100.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.596 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 12.5 t30 154.05 47.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.646 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -71.43 28.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.42 -52.88 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.493 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -75.0 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.646 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -48.26 -39.96 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.664 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.1 mt-10 -74.96 -31.35 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -58.69 -44.79 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.47 -34.78 54.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.599 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.2 mm-40 -75.19 -37.02 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.664 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -53.32 -51.8 72.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.1 Cg_endo -75.07 -27.42 9.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.6 m -60.15 -58.11 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.56 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -71.98 -46.31 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.515 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 34.9 m -51.3 -48.99 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -61.01 -45.55 94.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.582 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 3.6 mt-30 -67.51 -41.59 84.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 1.184 . . . . 0.0 110.253 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 173' ' ' THR . . . -72.73 -31.06 64.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -63.2 -49.19 75.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.69 -41.89 71.4 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.575 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -65.24 -37.98 88.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.1 m -63.74 -49.76 71.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.529 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.7 pt-20 -56.41 -48.41 77.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.529 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.7 tp -65.9 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.544 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 0.2 OUTLIER -53.58 -52.02 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.563 ' CG2' ' CB ' ' A' ' 56' ' ' ALA . 2.4 mt -77.99 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.422 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 6.8 tm-20 -66.63 -32.75 74.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -116.54 -71.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 176' ' ' LEU . . . -177.38 -52.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 163.5 -23.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -50.28 -47.0 83.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 17.9 Cg_endo -75.1 -37.29 2.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.557 1.819 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.803 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.6 -43.56 80.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 5.2 tt0 -67.49 -36.98 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 61.4 t30 -81.85 -23.3 36.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -100.99 -57.75 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.803 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -65.46 -47.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.593 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.33 12.49 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.537 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -86.91 -69.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.582 ' CH2' ' HB3' ' A' ' 168' ' ' GLN . 1.6 p90 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.47 6.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.531 ' HA ' ' CB ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -127.45 167.81 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.583 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -126.59 138.34 53.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.446 HG12 ' CG1' ' A' ' 91' ' ' ILE . 6.8 t -127.86 142.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.02 120.9 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.483 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -93.57 109.98 3.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -95.57 107.25 19.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.77 -146.57 5.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.512 ' ND2' ' CE1' ' A' ' 22' ' ' HIS . 21.3 t-20 -136.17 128.47 17.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.487 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.97 -170.51 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . -34.6 120.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 166.98 143.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.14 -7.84 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 151' ' ' LEU . 0.2 OUTLIER -82.79 -18.48 40.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.3 72.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 21' ' ' ARG . 22.1 mmt180 -55.89 -30.38 61.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -76.16 28.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.562 ' C ' ' H ' ' A' ' 23' ' ' ASN . 32.3 mmt-85 64.54 12.56 7.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.512 ' CE1' ' ND2' ' A' ' 12' ' ' ASN . 18.9 t-160 -68.52 11.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.662 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.562 ' H ' ' C ' ' A' ' 21' ' ' ARG . 7.8 t-20 -132.92 38.68 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.519 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -61.01 -45.32 95.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.99 -52.47 35.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.3 t80 -78.09 -26.15 47.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 5.8 t -72.85 -39.47 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.455 ' CG2' HD13 ' A' ' 24' ' ' LEU . 40.9 t -76.9 -37.55 27.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -64.58 -47.4 78.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 m-20 -65.8 -41.81 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.54 -57.55 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 10.6 mt -57.86 -36.35 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.75 -14.62 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -88.95 -25.06 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -42.28 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.39 18.98 2.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.66 30.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -50.1 172.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.81 52.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.659 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.91 -164.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.97 -166.17 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.28 123.89 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.59 161.11 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 109.541 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -70.12 -164.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.5 ttp-105 36.86 -146.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.441 ' O ' HD22 ' A' ' 79' ' ' LEU . 33.5 p -71.98 52.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -118.72 -55.08 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.172 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 45.3 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -72.72 142.92 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.431 HG13 ' CB ' ' A' ' 63' ' ' ALA . 27.8 m -147.29 117.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.659 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -119.12 113.66 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 125.52 29.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -120.29 99.62 0.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.118 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -111.91 130.84 55.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER 157.56 -171.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 44.09 31.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.27 47.4 91.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER 175.5 152.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 2.2 t -108.87 169.51 8.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.177 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.4 117.03 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.0 t -89.01 99.86 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.481 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -95.39 107.13 19.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.562 1.163 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 49' ' ' GLU . . . -126.86 170.85 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' NZ ' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.45 130.06 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.704 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.99 -154.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 6.0 mmt180 -86.63 -86.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.415 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -43.7 -23.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.858 ' O ' ' N ' ' A' ' 72' ' ' SER . 18.8 m-85 63.15 -80.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.519 ' C ' ' O ' ' A' ' 68' ' ' TYR . 54.4 ttm -27.27 -92.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.67 -33.25 68.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.9 mt-10 -60.36 -33.1 71.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.858 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -79.82 -47.55 15.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.509 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -53.16 -47.08 61.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.01 -46.98 21.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.5 tp-100 -45.7 -50.74 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.787 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.9 mt -68.85 -46.38 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.32 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.08 -45.56 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.498 ' CD1' ' OE1' ' A' ' 75' ' ' GLN . 8.8 mt -54.95 -40.42 69.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.787 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.71 -47.66 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.32 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.2 t80 -76.18 -44.41 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.464 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 19.7 m-85 -86.37 -12.84 48.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 t 56.91 53.16 8.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.509 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 1.2 t -100.08 157.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.458 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -84.2 153.63 62.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.608 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.9 -6.3 17.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' O ' ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -109.84 -14.1 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.08 123.07 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -136.67 117.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 8' ' ' VAL . 33.4 t -106.08 126.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.381 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 1.2 tt -105.88 144.59 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.545 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 10.5 t-160 -156.49 179.05 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.533 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -103.34 145.28 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -159.19 154.27 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.504 ' CD1' ' CG2' ' A' ' 150' ' ' VAL . 1.9 mp -85.54 103.82 14.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -102.57 -72.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.37 -85.49 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.6 mt-10 -86.16 167.94 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -89.17 31.7 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -163.33 53.21 0.3 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 136' ' ' GLY . 3.7 mmm-85 -138.21 160.57 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.546 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.2 pp -118.51 161.61 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.11 111.55 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.474 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -111.26 131.93 54.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -147.77 170.45 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -132.21 -86.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.515 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -47.73 -31.05 7.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.93 -46.97 1.26 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.63 -172.78 54.61 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -75.45 100.66 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.62 -61.21 4.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -171.0 84.38 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 95' ' ' ASP . 2.6 m170 -151.91 133.62 14.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -60.53 -42.96 97.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.451 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -64.43 -59.03 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.9 mt -52.32 -45.31 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -60.7 -37.01 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -31.8 69.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.509 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.6 t -68.74 -44.27 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.56 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 11.4 t -73.12 -26.65 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.47 64.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -86.52 -45.79 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.712 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 22.7 mt -78.75 -22.42 46.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.22 8.09 82.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.53 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 83.8 119.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.705 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 18.5 tptt -139.29 8.54 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 15.2 m-20 85.74 16.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.712 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 67.3 m-85 -49.44 152.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -88.51 157.3 18.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.57 148.99 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.6 t -133.08 85.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -86.08 141.86 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.546 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 1.4 mp -96.78 141.11 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -87.38 99.1 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.408 1.067 . . . . 0.0 110.986 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.5 pp -106.16 79.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.448 ' O ' ' CA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.78 90.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -75.16 -20.91 59.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.504 ' CG2' ' CD1' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -79.71 -31.29 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.64 ' CD1' ' CE2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -104.91 32.84 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.704 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 mm-40 -59.16 -101.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.704 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 14.4 t-20 136.43 46.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.614 ' O ' ' C ' ' A' ' 155' ' ' THR . 0.4 OUTLIER -71.48 28.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.614 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.6 OUTLIER -18.96 -52.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.561 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -75.07 -73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.578 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.07 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.9 OUTLIER -73.52 -34.37 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 110.274 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.5 -42.25 87.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.488 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -78.11 -33.0 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.553 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 2.0 tp10 -75.57 -38.11 59.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.543 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -53.53 -49.98 85.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.5 Cg_endo -74.99 -28.64 9.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.548 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -62.54 -56.12 20.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.553 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.21 -53.31 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.537 ' O ' ' N ' ' A' ' 170' ' ' ALA . 68.5 m -46.89 -48.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 0.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -61.03 -46.23 91.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.378 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.557 ' HB3' ' CZ2' ' A' ' 191' ' ' TRP . 1.4 tt0 -65.88 -45.97 80.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -70.83 -31.02 67.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -68.59 -40.19 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.614 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -65.78 -36.24 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.8 m -64.37 -50.86 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -56.79 -47.02 81.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.241 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.511 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.3 tp -66.21 -36.67 83.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.522 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.0 tt -52.81 -52.73 55.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 60.1 mt -74.58 -23.12 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 178' ' ' GLU . 0.4 OUTLIER -70.58 -30.18 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -114.71 -72.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 181' ' ' MET . . . 176.89 -46.0 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 160.26 -25.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 mt-10 -48.1 -50.23 56.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.99 -36.21 2.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.801 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.16 -44.63 83.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.58 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.4 tt0 -66.67 -37.21 84.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.731 HD21 ' N ' ' A' ' 186' ' ' ASN . 0.8 OUTLIER -81.67 -24.78 36.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.11 -58.13 2.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.801 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -63.84 -53.54 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -72.76 -17.21 61.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -139.29 96.13 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.557 ' CZ2' ' HB3' ' A' ' 168' ' ' GLN . 16.6 m95 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 108.061 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.03 168.42 24.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 1.2 mt -136.04 142.06 44.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -114.63 142.68 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.453 ' CG1' HG13 ' A' ' 91' ' ' ILE . 20.9 t -128.93 144.96 36.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.54 120.09 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.408 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -96.73 110.65 4.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.587 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.33 109.03 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -128.43 -144.74 5.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -135.76 125.3 16.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.4 Cg_endo -75.02 127.31 10.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 44.18 -153.95 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 68.63 137.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.801 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -63.58 -12.38 32.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -17.47 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -31.67 69.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 21' ' ' ARG . 16.8 mmt85 -52.93 -36.57 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -74.32 36.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.561 ' C ' ' H ' ' A' ' 23' ' ' ASN . 20.5 mtt180 56.84 14.88 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -68.93 11.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.632 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.561 ' H ' ' C ' ' A' ' 21' ' ' ARG . 35.1 t30 -138.25 29.21 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD13 ' CB ' ' A' ' 95' ' ' ASP . 3.8 mt -50.68 -46.69 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.91 -54.61 11.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 25.5 t80 -79.32 -27.54 42.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 0.8 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.4 t -70.27 -40.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -73.37 -52.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.49 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -53.05 -43.63 66.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.6 m-20 -66.17 -52.32 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.03 -54.26 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -56.05 -59.57 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.46 -14.6 30.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.616 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -87.76 -24.75 23.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.4 -40.87 7.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.546 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -74.39 -19.98 60.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 96.33 -35.86 4.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.553 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -28.25 146.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 93.92 2.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.679 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -79.27 -171.31 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -160.03 -164.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -138.23 149.97 46.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.444 ' O ' ' O ' ' A' ' 44' ' ' LYS . 5.7 t-80 -129.37 112.18 13.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -38.49 158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 74.03 -149.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.467 ' CB ' HD22 ' A' ' 79' ' ' LEU . 4.8 p -71.61 50.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.12 -57.59 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 52.02 -171.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.649 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 1.9 mt-10 -75.28 143.4 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.4 p -176.24 159.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.668 ' CB ' ' CB ' ' A' ' 40' ' ' PHE . . . -140.48 126.09 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.6 125.52 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.47 123.62 4.81 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.02 96.46 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 58' ' ' ARG . 51.7 p -176.75 -152.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 40.26 30.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 60.89 52.68 50.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 163.14 154.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.25 176.99 9.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -179.33 104.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG1' HD12 ' A' ' 6' ' ' LEU . 55.2 t -108.88 106.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -95.56 109.02 21.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -115.2 170.68 8.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HE3' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 174.58 123.66 0.11 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.671 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.06 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.541 1.811 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 21.2 mmt180 -90.27 -87.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -47.51 -22.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 32.0 m-85 63.7 -79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.54 ' C ' ' O ' ' A' ' 68' ' ' TYR . 24.4 ttt -25.9 -98.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -68.59 -31.86 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.98 -35.4 76.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.9 t -75.81 -52.9 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -45.54 -49.34 11.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.98 -49.6 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 1.2 mm-40 -46.6 -48.94 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 27.0 mt -67.74 -44.24 85.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.5 -68.41 0.16 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.443 1.09 . . . . 0.0 110.977 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.03 -47.67 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.74 -40.32 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.741 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.78 -50.02 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -17.4 61.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.6 t80 -74.63 -44.77 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.474 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.8 m-85 -83.1 -11.05 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 56.03 51.85 11.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 2.0 t -97.29 168.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.05 156.5 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.604 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.2 Cg_endo -74.98 -34.94 3.46 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.12 -6.85 25.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 6' ' ' LEU . 72.7 m-20 -104.82 -23.79 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 42.8 mt -88.22 134.73 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.52 ' C ' ' CD1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -137.64 118.88 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.474 ' CG2' HG21 ' A' ' 8' ' ' VAL . 98.5 t -103.7 124.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -107.03 144.11 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.587 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 9.0 t-160 -154.74 -174.4 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.633 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.498 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 5.4 p-10 -106.19 140.5 39.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 135' ' ' ILE . 8.3 t0 -147.42 159.86 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 150' ' ' VAL . 2.1 mp -98.74 104.8 16.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -102.5 -73.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.461 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 9.9 mt -135.11 -96.82 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 138' ' ' GLY . 11.2 mt-10 -88.63 172.07 9.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.579 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 1.5 m-85 -92.49 82.57 4.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 159.36 40.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.489 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.3 mmm-85 -136.64 157.78 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.4 pp -120.64 163.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.2 tpt180 -148.77 108.9 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -108.0 125.86 52.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.6 -179.54 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.517 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -126.92 -85.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.517 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -84.66 -88.23 0.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.84 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 177.06 127.49 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' GLY . 2.6 mp0 -38.74 121.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.713 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.49 ' CA ' ' NH2' ' A' ' 134' ' ' ARG . . . -38.77 -67.98 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.57 43.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.5 ' CE1' ' CG ' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -118.82 138.33 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.515 ' CB ' ' CE ' ' A' ' 69' ' ' MET . 1.3 m-20 -55.52 -33.5 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -53.46 -60.58 8.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.444 HD12 ' CG ' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.73 -42.68 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -61.82 -35.47 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' ASN . 0.3 OUTLIER -71.48 -32.23 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.457 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.4 t -67.74 -45.21 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.519 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 16.1 t -72.32 -27.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.05 -33.7 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -89.43 -45.59 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.645 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 31.0 mt -77.93 -22.28 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 74.61 2.29 63.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 83.28 130.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.0 110.405 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.604 ' O ' ' CG ' ' A' ' 87' ' ' PRO . 8.3 tptt -152.11 17.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 19.7 m-20 80.73 20.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.645 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 97.2 m-85 -53.59 157.2 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.503 ' CG ' HD12 ' A' ' 108' ' ' ILE . 80.1 mt-30 -95.52 158.54 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -144.28 149.27 36.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.9 t -131.51 87.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 1.6 mpp_? -89.33 145.54 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 96' ' ' ASP . 2.8 mt -102.94 147.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -99.16 98.15 1.93 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.586 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.9 101.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.85 89.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.406 ' CE1' ' HE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -75.53 -22.99 56.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -73.99 -36.15 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 150' ' ' VAL . 30.5 mt -88.31 46.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.682 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -72.2 -107.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.682 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 12.2 t-20 139.36 45.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.612 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.6 OUTLIER -74.32 31.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.75 -52.7 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.537 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -74.98 -71.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.591 ' HB2' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -38.18 10.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.1 tt0 -75.47 -31.69 60.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.55 -43.32 93.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.444 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -78.02 -34.73 50.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.588 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 8.6 mm-40 -76.0 -37.01 58.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.7 t -53.7 -50.85 81.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.793 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 6.4 m -63.61 -60.55 3.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.573 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.52 -54.09 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 67.1 m -46.61 -46.47 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -58.32 -45.45 88.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.424 ' O ' HG21 ' A' ' 188' ' ' VAL . 1.7 tp60 -63.56 -49.06 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.37 84.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.21 -45.67 75.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.47 -43.66 84.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.517 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -60.98 -36.9 80.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.7 m -65.01 -53.26 48.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.644 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -57.29 -35.21 69.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.644 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.37 -38.63 65.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.3 tt -55.96 -42.83 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 12.2 mt -78.85 -28.73 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -147.79 -71.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.39 -177.4 31.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -90.9 -17.45 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.595 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -50.32 -46.3 83.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.253 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.95 -40.49 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.62 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.04 -39.2 94.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.558 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 20.8 t-20 -79.63 -20.23 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.4 ttt180 -96.67 -53.21 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.635 ' C ' ' H ' ' A' ' 190' ' ' ALA . 60.4 t -88.14 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 26.6 t-80 -69.8 22.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.635 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -97.93 -31.02 12.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.604 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.45 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 168.79 24.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -118.65 136.4 53.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -108.11 139.87 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 2.7 t -122.46 142.96 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.18 118.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.37 109.24 3.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.556 ' CD2' ' CD2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -96.57 112.46 24.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 0.754 . . . . 0.0 109.348 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -140.48 -147.42 4.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.616 ' ND2' ' CG ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -121.76 131.2 24.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.02 66.7 6.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . 60.15 138.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.388 1.055 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 162.59 130.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -51.85 -26.32 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 151' ' ' LEU . 1.6 t80 -85.37 -20.07 30.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -73.41 -40.69 64.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -37.32 -45.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 36.8 p -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.595 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 150.01 -11.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.616 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 1.7 t-160 -53.62 -5.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.61 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.595 ' H ' ' C ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -115.91 79.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.549 ' CD2' ' OD1' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -121.74 -52.41 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.517 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -41.92 -67.94 0.77 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CE1' ' NZ ' ' A' ' 64' ' ' LYS . 22.2 t80 -71.36 -26.14 62.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.786 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -64.8 -40.72 90.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.2 -52.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.48 88.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 34' ' ' ALA . 46.2 t0 -62.71 -43.02 99.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.626 1.204 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.4 -59.68 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt -56.33 -34.71 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.495 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -76.34 -20.96 56.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -31.84 41.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -84.86 -43.79 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -18.56 48.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 94.74 -39.52 2.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . . . 60.21 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.372 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 14.69 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CE2' ' CD ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -58.05 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -158.1 -164.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.24 103.29 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -37.12 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -38.26 80.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 2.6 m -89.8 -43.03 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.12 54.93 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.576 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 179.46 174.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 0.713 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CD ' ' CE2' ' A' ' 40' ' ' PHE . 1.8 tt0 -87.06 149.74 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 15.4 m -139.34 119.33 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -127.06 112.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -92.12 160.54 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -153.2 -163.6 11.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 7.5 mtp180 -160.79 131.88 5.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 0.746 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 177' ' ' ILE . 1.4 m 170.95 -178.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.28 20.14 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 73.08 42.42 43.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 mmt-85 175.84 154.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -67.44 170.3 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 2.4 pp -146.43 127.81 14.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 6' ' ' LEU . 28.1 t -109.06 107.82 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 1.2 tm? -101.57 120.91 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -125.23 161.83 26.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.652 ' NZ ' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -170.01 110.58 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.64 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.511 ' C ' ' N ' ' A' ' 68' ' ' TYR . 33.2 mmt180 -88.19 -86.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.08 -23.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.757 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.0 m-85 64.17 -80.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.417 ' CE ' ' CG ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER -36.0 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.55 -37.82 71.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -56.38 -40.11 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.757 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.8 t -70.37 -57.52 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.615 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.36 -52.66 3.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.993 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 0.753 . . . . 0.0 110.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.597 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 16.8 tp60 -45.1 -48.99 12.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.783 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -68.69 -46.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.22 -66.74 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.993 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.01 -46.73 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.449 1.763 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.508 HD13 ' NE2' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.53 -39.67 67.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.783 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.57 -50.99 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.48 -15.23 61.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.662 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.6 t80 -78.0 -43.8 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -81.57 -10.13 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 t 52.91 46.39 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -95.61 174.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.64 154.59 65.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.05 -30.2 7.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.36 3.79 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.582 ' O ' ' N ' ' A' ' 6' ' ' LEU . 13.0 m120 -104.31 -14.59 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.497 ' CD1' HD11 ' A' ' 76' ' ' ILE . 1.1 mm -91.72 135.1 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.49 ' CD1' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -135.3 117.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.61 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.568 ' CG2' ' HB ' ' A' ' 133' ' ' VAL . 0.8 OUTLIER -104.13 145.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.543 ' CD2' HD12 ' A' ' 10' ' ' LEU . 8.6 t-160 -156.66 -178.88 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.549 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 5.7 t70 -103.25 146.13 28.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 135' ' ' ILE . 4.3 t0 -154.88 166.22 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 150' ' ' VAL . 1.3 mp -100.77 106.67 18.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CB ' ' HA3' ' A' ' 136' ' ' GLY . 20.5 t0 -98.36 -73.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.43 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 4.1 mp -135.72 -94.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -88.0 169.45 11.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.404 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -84.09 96.61 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.655 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 135.47 44.97 0.1 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.551 ' NH1' ' CZ3' ' A' ' 191' ' ' TRP . 0.3 OUTLIER -133.35 158.04 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.511 ' CG2' ' CD1' ' A' ' 165' ' ' ILE . 1.4 pt -116.42 163.58 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.7 tpt180 -149.71 97.56 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.459 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.79 129.74 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.89 172.91 17.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.563 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.2 tp -97.49 -92.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.563 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -42.92 -78.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.31 -103.19 1.56 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -164.46 -61.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 3.5 tp10 84.56 -66.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.82 108.68 0.25 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 166.47 -87.52 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.417 ' CG ' ' CE ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -62.22 152.15 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.596 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.24 -62.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.47 -50.63 10.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.587 ' O ' HG11 ' A' ' 121' ' ' VAL . 11.1 mt -58.97 -43.58 91.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.47 ' O ' HG11 ' A' ' 122' ' ' VAL . 1.6 ttt180 -66.16 -31.67 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 16.3 t -73.97 -28.42 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.615 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.66 -42.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER -67.45 -43.0 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 122' ' ' VAL . . . -72.13 -35.99 69.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.47 -48.26 61.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.435 ' CD1' ' CG2' ' A' ' 76' ' ' ILE . 10.5 mt -81.73 -20.67 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 76.62 3.18 78.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.61 145.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 175.97 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.64 96.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 87' ' ' PRO . 17.3 m-85 -124.9 171.93 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.471 ' CG ' HD11 ' A' ' 108' ' ' ILE . 73.2 mt-30 -107.14 154.06 21.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.74 149.64 35.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.568 ' HB ' ' CG2' ' A' ' 93' ' ' ILE . 9.9 t -131.25 85.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 105' ' ' ARG . 4.0 mpp_? -89.02 146.44 24.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.573 ' O ' ' N ' ' A' ' 96' ' ' ASP . 3.0 mt -98.33 148.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.45 93.78 0.98 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.617 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.01 99.58 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.36 82.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 10.8 t80 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.443 HG21 ' CD1' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.22 -30.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.577 ' HG ' ' CZ ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -96.17 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.7 mm-40 -72.83 -107.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.583 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 14.8 t30 151.75 46.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.644 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.3 OUTLIER -74.94 28.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.14 -52.0 0.1 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.3 Cg_endo -74.94 -67.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.619 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -42.14 34.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.9 mt-10 -72.59 -32.47 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.85 -42.99 90.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.21 -34.56 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.558 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 12.3 mm-40 -75.83 -37.0 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -53.09 -50.44 82.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.94 -29.01 8.79 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.554 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.9 m -60.74 -59.46 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.558 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.73 -51.67 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 52.1 m -46.92 -48.03 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 108.328 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.9 94.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.447 ' CG ' HG13 ' A' ' 188' ' ' VAL . 3.2 tp60 -64.45 -47.5 78.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.63 81.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.95 93.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.0 -41.24 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.558 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -59.2 -41.08 87.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.0 m -65.18 -53.0 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.2 pt-20 -57.02 -47.72 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.98 -36.52 83.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.594 1.184 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 1.3 tt -56.3 -49.67 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 15.0 mt -67.13 -30.87 50.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -69.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -121.92 -71.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -154.11 -176.68 26.73 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 12.4 ptp -92.55 -13.95 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.401 0.707 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.1 mt-10 -53.18 -44.33 96.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.12 -39.16 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.537 1.809 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.647 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.42 -37.78 88.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.5 tt0 -72.27 -39.91 68.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 12.8 t30 -78.99 -20.08 50.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -97.91 -52.53 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' A' ' 184' ' ' ALA . 21.7 t -87.57 -57.02 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.575 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.5 t-80 -70.43 22.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.616 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -101.19 -36.08 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.655 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.1 p-90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.02 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -130.26 137.57 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -116.43 141.64 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.524 ' CG1' HG13 ' A' ' 91' ' ' ILE . 6.9 m -133.79 141.55 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.487 HG23 ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.43 125.34 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.44 105.33 3.07 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.594 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -89.35 96.01 10.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.81 -152.46 8.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 22' ' ' HIS . 1.2 t30 -134.7 126.47 18.02 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.4 Cg_endo -74.93 153.51 42.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.594 1.839 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 15' ' ' ALA . . . 75.73 126.52 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -58.68 -140.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 0.806 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 57.52 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CE2' HD13 ' A' ' 151' ' ' LEU . 3.1 t80 -71.88 -19.17 61.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.45 -38.25 68.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -41.49 -30.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.46 ' CG2' HD11 ' A' ' 151' ' ' LEU . 23.9 p -76.52 25.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.597 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER 67.56 10.49 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -63.97 5.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.597 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.2 m-20 -121.23 29.84 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' CD2' ' NE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -52.52 -64.37 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.548 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -35.41 -61.02 0.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CE1' ' OE2' ' A' ' 49' ' ' GLU . 18.2 t80 -67.35 -33.58 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -66.01 -42.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.02 -53.29 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 62' ' ' LEU . . . -56.96 -47.1 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.3 t70 -60.4 -36.12 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -62.86 -62.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.435 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 7.1 mt -53.97 -26.52 26.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -87.97 -23.83 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -91.85 -4.98 54.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -111.98 -41.68 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.581 ' HG ' ' H ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -82.76 -17.07 45.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.12 -0.3 78.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.581 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -31.1 147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.37 68.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.7 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -78.6 -167.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.27 -177.38 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -154.57 81.05 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.488 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.8 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.598 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.39 -173.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.498 ' CG ' HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER 85.13 -26.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.522 ' CB ' ' CD1' ' A' ' 79' ' ' LEU . 1.6 t 165.15 -25.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 119.66 57.19 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 178.27 -170.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.7 mt-10 -76.49 143.4 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 50' ' ' VAL . 31.1 m -155.69 118.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.7 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -119.96 110.11 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.05 123.51 44.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.06 -162.54 10.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 2.2 mtt85 -152.18 131.41 12.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 0.77 . . . . 0.0 110.23 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 6.6 m -170.02 -173.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.532 ' CB ' ' CG2' ' A' ' 177' ' ' ILE . . . 44.59 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 66.66 43.88 90.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.0 154.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.501 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -56.57 169.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.4 pp -153.92 117.58 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.501 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 41.4 t -106.65 98.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -99.58 104.94 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -126.64 175.98 7.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -179.03 123.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.697 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.01 -158.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.495 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.0 mmt180 -80.98 -84.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.61 -18.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.344 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.697 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.9 m-85 61.27 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 67' ' ' CYS . 66.6 ttp -40.93 -96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.8 -31.58 71.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.547 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -58.92 -45.52 90.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.646 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 34.2 t -68.95 -36.0 77.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -55.83 -51.53 54.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 1.057 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -82.19 -36.3 27.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.0 mm-40 -61.02 -46.11 92.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.785 ' O ' ' N ' ' A' ' 80' ' ' ALA . 76.8 mt -71.08 -50.6 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.44 -62.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 1.057 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.522 ' CD1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -56.15 -39.51 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.785 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.03 -49.04 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -74.84 -18.09 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.655 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -72.67 -45.46 58.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.499 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 14.2 m-85 -81.62 -9.13 59.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.8 t 55.61 50.21 14.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.499 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 21.8 t -103.47 167.71 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.62 155.42 62.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.4 1.94 14.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.605 1.191 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.622 ' O ' ' N ' ' A' ' 6' ' ' LEU . 29.6 m120 -107.94 -24.8 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 22.9 mt -86.87 132.41 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.524 HG13 ' CG1' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -137.9 120.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.5 p -105.1 131.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.548 ' CG1' ' HA2' ' A' ' 25' ' ' GLY . 0.7 OUTLIER -106.26 151.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.594 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 8.8 t-160 -154.13 172.29 17.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.577 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.504 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -103.26 141.36 36.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -155.11 170.26 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.04 132.03 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -126.6 -67.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.419 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 mp -133.95 -97.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.73 178.01 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -92.77 71.99 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.441 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 168.81 41.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.633 ' HD3' ' CZ2' ' A' ' 191' ' ' TRP . 10.5 mmt85 -135.71 161.68 34.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.0 OUTLIER -123.63 163.28 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.28 98.26 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -108.3 142.2 38.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 167.48 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.533 ' C ' ' CD1' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -119.6 -82.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.49 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.93 -35.13 31.58 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -42.11 97.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.36 156.13 26.71 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -39.5 -59.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.68 -51.71 4.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.581 1.176 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.51 58.8 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -130.22 127.17 39.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.552 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.27 64.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.411 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -65.41 -58.15 10.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.56 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 3.8 ttt-85 -59.97 -35.19 74.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.075 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.2 t -69.66 -30.38 68.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.505 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.7 t -71.96 -42.3 68.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 127' ' ' THR . 12.9 t -73.79 -28.96 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.43 62.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.407 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.496 HD22 ' CB ' ' A' ' 80' ' ' ALA . 29.3 mt -78.09 -25.09 47.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 61.05 10.94 23.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.522 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 0.1 OUTLIER -103.45 -154.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.607 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -176.69 62.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -149.87 16.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 127' ' ' THR . 0.6 OUTLIER -85.67 156.77 20.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -102.89 157.84 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.28 147.41 45.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.8 t -135.51 84.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 105' ' ' ARG . 9.3 mtp180 -86.31 160.38 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.1 mp -112.47 154.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -109.72 96.27 0.94 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.131 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.669 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -105.85 101.85 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.919 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.15 81.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.443 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.4 t80 -75.78 -22.49 56.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -26.7 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -91.18 39.43 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.8 mm-40 -66.91 -105.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.637 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 12.1 t30 143.85 46.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.633 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.97 28.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -20.78 -52.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.472 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.515 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.91 -71.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.633 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.82 11.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.8 mt-10 -75.41 -30.66 60.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.97 -45.14 91.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.464 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.66 -34.48 53.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.637 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.1 mm-40 -75.38 -37.18 60.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.673 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -53.7 -52.16 69.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -26.76 10.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.637 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.3 m -64.69 -60.16 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.76 -54.36 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 67.7 m -45.99 -49.07 16.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -56.58 -47.31 79.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.416 ' O ' HG23 ' A' ' 188' ' ' VAL . 19.8 mm-40 -61.44 -47.46 85.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.55 94.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.61 70.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -66.99 -44.79 79.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.573 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.53 -42.69 88.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 177' ' ' ILE . 92.1 m -61.88 -52.28 64.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.5 OUTLIER -59.67 -47.11 86.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.499 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.09 -42.72 88.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.541 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.3 tt -49.22 -50.94 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.532 ' CG2' ' CB ' ' A' ' 56' ' ' ALA . 1.8 mt -76.22 -23.5 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.76 -31.94 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.223 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -158.57 -71.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -154.99 170.76 33.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.5 ptm -89.01 -18.81 26.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.79 -47.59 72.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -39.96 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.59 -37.0 85.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.519 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.2 tt0 -71.9 -41.17 68.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 24.5 t-20 -78.89 -20.68 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -95.37 -52.39 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.687 ' O ' ' CE3' ' A' ' 191' ' ' TRP . 41.9 t -89.77 -59.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.519 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 16.4 t-80 -66.8 23.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.681 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -107.58 -33.53 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.687 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 5.8 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 -172.94 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -136.26 140.84 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -112.62 142.09 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -130.36 145.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -134.96 123.6 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -95.4 113.2 4.56 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.674 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 4.8 mt -89.38 108.23 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 0.718 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 68' ' ' TYR . . . -117.54 -170.61 15.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -134.03 116.33 13.37 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 78.94 -148.87 32.17 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.459 1.1 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' CA ' ' HB2' ' A' ' 18' ' ' ALA . . . -112.11 -73.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HB ' ' A' ' 20' ' ' THR . 4.1 p-10 -53.04 -42.13 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.502 ' CD1' ' CG ' ' A' ' 12' ' ' ASN . 1.4 m-85 -83.51 -16.28 46.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -48.6 -24.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.872 ' O ' ' N ' ' A' ' 21' ' ' ARG . 14.1 mmt85 -140.62 -98.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.585 ' CG2' ' N ' ' A' ' 21' ' ' ARG . 1.2 t 51.87 -57.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.872 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.4 ppt_? 168.71 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 21' ' ' ARG . 71.1 m80 -71.45 13.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.551 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 21' ' ' ARG . 64.0 t30 -110.88 16.65 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.554 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -60.41 -42.62 96.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.537 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -46.56 -60.62 4.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 8.4 t80 -75.84 -26.83 57.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 12.2 t -71.08 -40.61 75.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.3 t -70.73 -53.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.469 ' CB ' HD12 ' A' ' 62' ' ' LEU . . . -57.24 -32.74 66.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -67.65 -48.72 65.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.15 -56.6 13.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.439 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -56.53 -50.5 71.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.52 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -71.27 -38.97 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -84.51 -43.59 14.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -169.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.54 27.21 15.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.91 119.59 28.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -97.98 11.46 37.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.629 ' CD1' ' HB3' ' A' ' 51' ' ' ALA . 23.0 m-85 57.51 147.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -121.8 178.38 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -158.02 136.76 11.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.1 m80 -142.45 162.71 34.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' GLY . 3.7 ttmt -80.12 -178.99 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' A' ' 47' ' ' GLY . 0.9 OUTLIER 48.1 -126.62 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.477 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 4.3 p -78.66 13.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -66.14 -72.26 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.548 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 59.25 -166.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -85.4 148.18 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -163.71 132.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.629 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . . . -123.53 122.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.41 161.77 24.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 1.14 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 60' ' ' LEU . . . -153.4 117.51 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -111.89 103.53 11.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.545 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 179.87 -170.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.981 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 57.69 17.69 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.66 34.95 55.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 178.19 157.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -83.09 167.09 18.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD2' ' HA3' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -149.42 126.1 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.504 ' CG1' HD13 ' A' ' 6' ' ' LEU . 69.9 t -105.73 110.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.3 tm? -104.26 125.31 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -127.21 166.89 16.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.226 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.625 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.69 110.7 0.19 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.633 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -75.0 -156.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.511 1.795 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.519 ' C ' ' N ' ' A' ' 68' ' ' TYR . 18.0 mmt180 -82.13 -84.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -46.25 -19.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.323 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 72' ' ' SER . 7.4 m-85 61.81 -81.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.521 ' HA ' ' CD2' ' A' ' 10' ' ' LEU . 47.6 ttm -35.23 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.518 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.4 m-20 -68.73 -39.85 80.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.67 -38.34 60.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.702 ' N ' ' O ' ' A' ' 68' ' ' TYR . 21.8 t -74.42 -45.76 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.538 ' HA2' ' HA ' ' A' ' 121' ' ' VAL . . . -46.3 -50.22 13.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.925 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.37 -55.34 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.228 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.509 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 2.2 tt0 -39.42 -49.75 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.727 ' O ' ' N ' ' A' ' 80' ' ' ALA . 57.2 mt -67.12 -43.67 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.404 1.065 . . . . 0.0 109.199 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.94 -68.88 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.925 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 46' ' ' SER . 1.7 mt -51.97 -40.07 60.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.727 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.57 -50.24 59.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -16.62 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.72 ' N ' ' O ' ' A' ' 78' ' ' PRO . 8.2 t80 -75.77 -44.11 43.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -80.63 -13.85 58.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.3 t 52.85 46.45 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.75 170.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.73 157.76 66.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.646 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -31.44 6.25 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -71.33 -3.18 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 6' ' ' LEU . 66.6 m-20 -103.37 -29.25 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.558 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 mt -89.19 134.58 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -138.01 139.21 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.417 ' HA ' HG23 ' A' ' 8' ' ' VAL . 1.1 p -118.48 122.91 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.537 ' CD1' ' HA2' ' A' ' 25' ' ' GLY . 1.2 pt -100.96 141.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.674 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -154.41 166.23 33.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.587 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.459 ' CG ' ' CD1' ' A' ' 24' ' ' LEU . 39.7 t0 -109.42 140.25 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.567 ' O ' HG13 ' A' ' 137' ' ' ILE . 1.5 t70 -150.98 150.42 30.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.487 ' HB3' ' CG2' ' A' ' 150' ' ' VAL . 0.6 OUTLIER -76.65 116.0 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 14.2 t0 -114.54 -83.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.402 1.064 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -134.16 -73.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' A' ' 102' ' ' GLY . 1.6 tm-20 -87.66 162.41 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.506 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.92 29.23 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 100' ' ' GLU . . . -160.59 48.25 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.544 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.2 tpp85 -130.69 164.24 25.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.807 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.2 pp -125.24 163.37 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.5 tpt85 -149.97 98.16 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.94 138.19 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 106' ' ' LEU . 14.2 mtpt -154.43 179.32 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.565 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -106.16 -56.38 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.565 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -100.73 -63.28 0.79 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.85 92.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.64 -46.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 28.7 tt0 -43.39 -60.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 38.1 -112.33 0.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.7 54.42 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 1.4 m80 -117.93 119.52 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -64.04 -52.92 57.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.456 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -51.1 -58.35 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.48 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 6.0 mt -52.02 -45.24 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -45.82 89.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -61.37 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.538 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 11.0 t -68.9 -44.7 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 126' ' ' GLY . 12.9 t -68.61 -25.09 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.37 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -79.0 -42.15 27.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.62 ' CD1' ' CE2' ' A' ' 130' ' ' PHE . 21.9 mt -78.94 -22.49 45.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.18 9.39 67.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.411 1.07 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 82.15 111.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 87' ' ' PRO . 17.9 tptt -132.61 19.63 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.551 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 94.2 m-20 66.86 21.08 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.624 1.202 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.646 ' CD1' ' HA ' ' A' ' 87' ' ' PRO . 28.8 m-85 -51.46 169.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 29.6 mt-30 -95.57 155.66 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -141.81 148.48 38.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.4 t -136.21 82.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -88.91 142.92 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.581 HG21 ' N ' ' A' ' 136' ' ' GLY . 5.0 mp -98.89 148.41 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.581 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -103.65 105.92 2.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.619 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 2.7 pp -118.8 71.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.143 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.57 98.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -23.58 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -75.32 -36.25 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 151' ' ' LEU . 6.8 tt -114.14 35.78 4.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 9.6 tm-20 -66.87 -88.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.641 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.1 t30 152.49 50.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.661 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.3 OUTLIER -66.93 25.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.641 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -25.03 -51.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.3 Cg_endo -75.01 -67.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.503 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -43.94 38.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.71 -28.81 61.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.018 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.92 -45.39 86.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.449 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -79.46 -33.29 42.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.622 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 7.9 tp10 -75.3 -36.5 61.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.175 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -56.06 -52.4 72.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.018 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.01 -25.23 12.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.622 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.5 m -61.67 -59.47 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.534 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -71.69 -50.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 170' ' ' ALA . 60.4 m -47.86 -46.55 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.266 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -62.96 -45.31 93.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -65.1 -46.68 80.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -70.7 -36.46 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -48.1 77.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -67.55 -40.67 84.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.638 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -65.39 -36.08 82.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.2 m -64.16 -50.48 68.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.25 -48.01 79.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.61 -40.17 88.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.9 tt -49.6 -50.02 44.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.9 mm -79.08 -21.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.464 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 11.5 tm-20 -59.04 -41.59 88.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -142.33 -71.33 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -153.99 175.82 32.11 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.82 -13.13 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.384 0.697 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.15 -47.78 65.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.05 -36.63 2.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.702 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.6 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -68.91 -39.04 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.541 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 58.0 t30 -81.9 -23.82 36.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 1.6 ttt180 -94.68 -55.48 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.702 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -73.97 -50.71 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.6 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.15 16.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.579 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -75.31 -47.31 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.578 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 34.4 p90 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.95 176.47 9.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -135.14 139.27 44.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.637 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -109.05 144.58 36.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.503 ' CG1' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -129.41 141.29 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -135.0 122.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 93' ' ' ILE . . . -88.62 105.29 3.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.588 1.18 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.535 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -86.6 100.27 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 68' ' ' TYR . . . -119.76 -165.02 12.84 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' A' ' 14' ' ' GLY . 1.6 m-80 -136.98 118.93 11.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.592 0.819 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.432 ' CG ' ' HA ' ' A' ' 67' ' ' CYS . 18.1 Cg_endo -75.08 14.81 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.573 ' HA3' ' CE2' ' A' ' 17' ' ' TYR . . . -60.09 -141.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -156.17 -98.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -36.59 -66.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.593 ' O ' ' CG2' ' A' ' 20' ' ' THR . 1.2 p90 -68.66 -23.57 64.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.66 -25.84 66.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' C ' ' H ' ' A' ' 21' ' ' ARG . 3.3 tpt180 -73.96 -25.28 59.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.68 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 5.8 t -63.15 -3.2 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.68 ' CB ' ' O ' ' A' ' 20' ' ' THR . 10.3 tpp180 101.7 9.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 3.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.3 t-20 -121.49 37.99 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -52.37 -62.63 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -38.81 -62.79 1.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.617 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.8 t80 -65.5 -30.13 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 0.727 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 4.9 t -69.14 -42.35 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.497 HG12 ' CD1' ' A' ' 93' ' ' ILE . 4.1 p -79.69 -34.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.423 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -65.38 -45.05 85.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 19.8 t0 -70.76 -43.4 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -55.12 -53.24 58.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.45 -59.69 4.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -60.46 -18.2 49.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -83.04 -26.1 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -101.11 -42.83 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -22.37 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.9 -2.83 82.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -33.02 151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -133.58 39.45 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.707 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -58.58 -149.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.568 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.3 -163.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' CB ' ' OE1' ' A' ' 49' ' ' GLU . . . -135.79 120.16 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 10.8 t-160 -177.27 -121.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.675 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 64.53 140.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -37.76 -31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.486 ' CB ' HD21 ' A' ' 79' ' ' LEU . 10.9 p -63.16 -53.87 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 96.82 69.46 1.0 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -165.24 -176.73 4.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.648 ' OE2' ' CE2' ' A' ' 40' ' ' PHE . 34.4 tp10 -86.62 152.6 22.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.1 p -172.44 156.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.707 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -144.75 128.41 17.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 126.11 35.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -128.92 110.86 1.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 55' ' ' SER . 3.0 mtp180 -115.96 108.16 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.618 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER 164.99 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 68.37 6.84 5.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.66 19.3 35.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.618 ' O ' ' O ' ' A' ' 55' ' ' SER . 3.6 tpm_? -178.9 159.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -80.91 171.86 14.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.958 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -157.87 121.86 4.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 6' ' ' LEU . 33.7 t -108.74 98.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.47 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -95.0 112.87 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -122.88 169.35 11.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 175.21 115.48 0.11 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.672 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 -153.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.57 1.826 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.0 mmt180 -88.23 -86.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.444 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -44.1 -24.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 108.385 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.2 m-85 64.31 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' TYR . 35.4 ttm -27.25 -94.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.42 -33.86 74.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.8 mt-10 -61.7 -28.81 69.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.6 t -80.82 -51.22 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -48.88 -49.59 28.53 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.973 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.5 -46.92 36.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 0.719 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.7 tm0? -45.09 -49.81 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.772 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 mt -68.01 -44.66 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.52 -68.11 0.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.973 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.0 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.486 HD21 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.51 -41.17 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.772 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.86 -50.16 63.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -18.17 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.674 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.2 t80 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -79.67 -7.71 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 56.48 53.02 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 158.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.18 157.47 62.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.793 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.95 -15.36 20.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 129' ' ' ASP . . . -67.23 -8.45 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.637 ' O ' ' N ' ' A' ' 6' ' ' LEU . 76.9 m-20 -108.28 -22.49 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.534 ' CG1' ' HB3' ' A' ' 6' ' ' LEU . 7.7 mt -87.13 136.77 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.407 1.067 . . . . 0.0 109.215 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.57 141.4 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.6 p -119.12 136.59 55.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 4.3 tt -112.7 144.32 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.535 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 8.0 t-160 -153.58 172.77 16.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.557 1.161 . . . . 0.0 109.65 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.545 ' OD1' ' C ' ' A' ' 95' ' ' ASP . 0.4 OUTLIER -96.27 143.02 27.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 6.1 t0 -150.26 160.03 44.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.405 ' CD2' HG22 ' A' ' 150' ' ' VAL . 0.9 OUTLIER -104.2 108.98 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -99.47 -78.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.421 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -135.72 -87.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -88.94 172.44 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -92.08 99.26 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.08 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.447 ' HA2' ' CG2' ' A' ' 165' ' ' ILE . . . 135.17 48.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.531 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.7 OUTLIER -134.52 155.06 51.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.79 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.55 ' CG2' ' CD1' ' A' ' 165' ' ' ILE . 1.9 pp -121.98 155.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -144.87 106.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.493 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.66 139.78 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -150.33 -179.41 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -134.48 -88.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -87.71 39.68 3.1 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.87 92.52 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.26 38.82 1.19 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.58 104.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.68 -62.47 1.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.18 54.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.69 142.63 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -56.43 -32.33 64.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.11 -59.02 11.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 mt -55.17 -49.8 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -58.04 -36.09 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 124' ' ' ALA . 7.4 t -72.35 -30.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.461 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 26.7 t -66.75 -45.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 126' ' ' GLY . 28.4 t -74.11 -28.86 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.85 47.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.22 -47.5 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.491 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -84.1 -24.74 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 66.35 5.76 30.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.459 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 0.2 OUTLIER -92.84 -157.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.442 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -169.89 74.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -166.48 20.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.793 ' CD2' ' HB3' ' A' ' 87' ' ' PRO . 3.8 m-85 -80.71 158.09 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -101.17 156.56 17.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.411 ' O ' HG22 ' A' ' 133' ' ' VAL . 6.5 mtt-85 -133.71 148.03 51.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.7 t -144.17 83.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.238 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.5 OUTLIER -91.99 142.21 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 5.1 mp -99.27 149.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.511 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -104.25 100.04 1.77 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.2 pp -113.39 98.84 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.437 1.085 . . . . 0.0 111.08 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.94 99.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 8.0 t80 -75.52 -23.11 56.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.405 HG22 ' CD2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.17 -31.46 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mt -97.49 42.93 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 14.2 mm-40 -74.55 -106.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.575 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 7.8 t-20 153.27 47.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.644 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.86 28.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.576 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.94 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.362 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.497 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -75.08 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.644 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.54 -41.31 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.675 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -75.16 -29.76 60.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.73 -44.58 90.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.371 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.48 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -78.93 -34.13 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.57 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 5.6 mm-40 -75.62 -36.29 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.675 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -55.28 -51.36 80.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.97 -25.89 11.49 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -61.18 -61.21 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.55 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -70.3 -45.38 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 28.3 m -49.55 -48.51 48.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.1 tt0 -61.15 -47.07 87.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.612 ' OE1' ' CD1' ' A' ' 191' ' ' TRP . 0.4 OUTLIER -63.69 -47.74 79.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.16 86.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.39 -41.41 80.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -44.11 79.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.362 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.561 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.27 -42.36 86.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 16.3 m -65.22 -52.67 53.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.02 -46.33 85.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.497 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.484 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 3.2 tt -51.3 -50.95 58.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 11.0 mm -71.39 -25.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.392 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.05 -41.33 82.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.94 -71.95 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -162.08 175.35 38.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -87.2 -22.17 25.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -43.28 -51.0 14.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.96 -38.64 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.758 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.606 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.73 -37.22 86.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.561 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.2 tt0 -72.38 -41.15 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 22.0 t-20 -78.35 -21.05 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -95.54 -52.94 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 1.177 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.677 ' O ' ' CE3' ' A' ' 191' ' ' TRP . 21.8 t -88.76 -58.8 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.4 t-80 -67.24 23.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.647 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -103.59 -36.64 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.683 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.054 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.88 27.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.46 135.76 47.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.39 140.64 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 3.0 t -121.56 141.98 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.98 123.33 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.407 ' HA2' HG22 ' A' ' 93' ' ' ILE . . . -98.1 115.72 5.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.579 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -101.07 95.69 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.426 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -120.07 -142.78 6.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' HIS . 4.4 m120 -138.96 128.05 14.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.689 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -9.56 20.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . -53.82 -110.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 19' ' ' ARG . . . 162.62 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 1.6 m120 -38.83 -61.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.81 -19.52 57.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.069 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB1' ' CA ' ' A' ' 15' ' ' ALA . . . -74.03 -27.79 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' ALA . 2.5 tpt180 -59.24 -54.34 47.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.891 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 70.1 p -29.52 -40.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.891 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 150.51 -1.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -63.52 5.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' ARG . 2.2 t-20 -127.68 42.84 3.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.517 ' CD2' ' OD1' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -65.6 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.81 -42.31 4.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.554 1.159 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -79.29 -34.55 42.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 0.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 2.6 t -67.26 -38.4 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.194 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.78 -52.52 22.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -56.01 -46.96 78.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 34' ' ' ALA . 18.4 t0 -60.56 -43.13 97.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.87 -59.92 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -52.54 -50.91 61.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.2 66.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -72.19 -38.76 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -43.87 14.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.9 -164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -92.71 -11.58 59.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.28 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 87.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.735 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -149.82 -157.82 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -117.12 177.33 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.523 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . 167.22 110.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 174.86 -150.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.685 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' ARG . 5.9 tptp -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -34.08 -55.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.4 p -113.94 -20.53 11.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 48' ' ' ALA . . . 104.63 36.24 3.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 47' ' ' GLY . . . 161.63 -170.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -88.13 144.84 26.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -142.71 104.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.735 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -104.16 104.03 13.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.534 ' CG2' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.98 126.19 46.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.81 -163.23 9.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.0 ttp180 -151.33 131.11 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 0.718 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -163.25 -179.51 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' CB ' ' HB ' ' A' ' 177' ' ' ILE . . . 43.29 25.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.64 51.83 28.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 175.36 154.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.0 172.26 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.62 126.15 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.534 ' CG2' ' CG2' ' A' ' 52' ' ' THR . 6.6 t -109.52 101.11 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -101.21 107.45 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -121.31 172.76 7.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.48 123.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.779 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.0 -156.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.807 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.689 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -84.31 -82.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 110.233 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -47.44 -21.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 72' ' ' SER . 31.2 m-85 60.09 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 67' ' ' CYS . 37.0 ttm -30.87 -91.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -70.65 -32.59 69.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -60.98 -34.64 75.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.837 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.3 t -76.37 -50.86 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -47.22 -50.62 16.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.42 -46.56 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -46.25 -49.42 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 80' ' ' ALA . 54.3 mt -67.75 -46.51 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.23 -67.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.96 -46.48 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.757 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.92 -40.69 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.771 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.39 -50.33 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -15.86 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.706 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.4 t80 -76.03 -42.9 46.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.8 -0.64 35.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.4 t 51.87 46.07 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.81 163.09 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.225 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -89.18 154.62 49.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.508 ' CG ' ' CB ' ' A' ' 128' ' ' LYS . 18.4 Cg_endo -74.98 -5.47 16.84 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -62.35 -16.15 52.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.8 p30 -105.05 -18.59 14.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.419 ' CG1' ' HB3' ' A' ' 6' ' ' LEU . 32.0 mt -85.33 131.69 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.425 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -131.51 119.19 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 62.3 t -100.47 124.22 53.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -105.27 141.59 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.579 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.4 t-160 -147.15 -172.92 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.595 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.517 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 4.6 t70 -111.48 144.45 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -152.09 169.13 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 pp -105.91 116.03 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' HB3' ' HA3' ' A' ' 136' ' ' GLY . 8.2 t0 -110.22 -83.36 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -129.38 -91.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.74 172.88 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -92.0 77.18 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.83 40.55 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.52 ' CD ' ' CH2' ' A' ' 191' ' ' TRP . 6.4 tpp85 -131.15 161.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 0.78 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.546 ' CG2' ' CD1' ' A' ' 165' ' ' ILE . 1.5 pp -123.85 165.29 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.63 101.02 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.72 138.89 39.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -148.22 177.77 9.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -113.71 -82.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.527 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -121.31 39.13 2.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . -49.02 -101.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.14 -115.77 1.75 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -163.73 86.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' N ' HD13 ' A' ' 118' ' ' LEU . . . -90.49 80.08 1.41 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.471 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . 151.06 -61.09 0.41 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.582 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER 83.96 -38.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 0.762 . . . . 0.0 109.588 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -52.66 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.43 ' O ' ' CG2' ' A' ' 121' ' ' VAL . . . -73.27 -27.52 67.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 113' ' ' GLY . 2.2 mt -64.09 -60.04 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 0.789 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.582 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.1 ttp85 -64.1 -36.15 83.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -59.99 -38.34 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.515 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 76.6 t -73.89 -39.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.553 HG22 ' CE2' ' A' ' 130' ' ' PHE . 9.3 t -72.93 -28.95 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . . . -75.93 -36.97 59.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.34 -48.39 15.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' A' ' 80' ' ' ALA . 5.0 mt -78.96 -21.97 46.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 73.72 1.73 59.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 81.11 130.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.577 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.7 mmtt -159.07 21.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 2.1 t70 89.63 22.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CE2' HG22 ' A' ' 122' ' ' VAL . 1.6 p90 -47.76 169.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 88' ' ' ALA . 71.5 mt-30 -112.77 155.47 24.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.454 ' NE ' ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -141.58 149.34 40.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 8.2 t -140.0 85.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.0 mpp_? -92.8 143.97 25.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' A' ' 96' ' ' ASP . 3.4 mp -100.32 149.65 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 135' ' ' ILE . . . -103.71 105.06 2.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.645 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.67 104.5 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.97 98.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -23.66 60.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.465 ' CG2' HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -78.21 -33.82 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.473 ' CD2' ' CZ ' ' A' ' 21' ' ' ARG . 1.2 mt -100.59 49.96 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 11.5 mt-10 -60.31 -102.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' A' ' 155' ' ' THR . 18.7 t-20 159.83 47.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.623 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.9 OUTLIER -71.48 27.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.581 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.3 OUTLIER -22.68 -52.12 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.497 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.97 -70.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.582 ' HB2' ' CD2' ' A' ' 154' ' ' PHE . . . -46.49 -41.76 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.703 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -74.67 -30.08 61.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.4 OUTLIER -58.92 -46.05 88.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.458 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -76.94 -34.48 57.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.594 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 4.9 mm-40 -76.01 -37.64 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.703 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -52.29 -50.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -28.57 8.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.566 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 11.1 m -61.51 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.594 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -69.09 -50.25 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.492 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 36.0 m -47.01 -47.04 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -44.65 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 188' ' ' VAL . 1.9 mm-40 -65.23 -49.29 70.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.06 -35.87 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -59.51 -41.93 91.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.39 -44.26 79.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.549 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.15 -43.77 87.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.4 m -60.61 -51.59 68.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.71 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.485 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.23 -42.12 89.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.446 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 3.8 tt -54.73 -40.9 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.484 ' HB ' ' CB ' ' A' ' 56' ' ' ALA . 42.9 mt -75.47 -29.32 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -63.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -125.51 -71.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -154.4 -179.95 30.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.8 ptt? -89.21 -17.66 28.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -47.91 -48.25 62.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.97 -38.88 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.05 -36.62 84.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.623 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.33 -41.07 66.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 3.4 m-20 -78.2 -21.49 49.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -95.12 -52.4 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.71 ' O ' ' CE3' ' A' ' 191' ' ' TRP . 35.2 t -89.05 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.623 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 23.5 t-80 -67.23 22.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 0.0 109.586 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.69 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -104.43 -34.98 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.71 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.0 -174.31 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.427 HD13 ' CB ' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -137.37 140.39 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -125.2 136.24 53.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.49 HG11 ' CD1' ' A' ' 91' ' ' ILE . 1.9 t -127.8 139.81 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.493 ' CG2' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -131.06 120.19 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.428 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -98.92 114.87 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.653 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -102.63 114.71 29.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.17 -154.27 8.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -133.38 119.3 15.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 17.9 Cg_endo -75.08 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.447 ' C ' ' HB2' ' A' ' 18' ' ' ALA . . . 82.54 -154.36 32.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -118.2 -85.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -49.58 -54.84 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -13.49 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' ALA . . . -51.22 -39.37 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 21' ' ' ARG . 22.0 mmt-85 -85.67 -99.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.492 ' C ' ' H ' ' A' ' 22' ' ' HIS . 11.1 p 44.85 13.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 71.98 -10.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 12' ' ' ASN . 25.4 m80 -73.45 16.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.638 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 21' ' ' ARG . 10.9 t-20 -109.94 3.39 20.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -39.2 -63.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -31.66 -60.31 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 33.4 t80 -75.02 -33.73 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.9 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 24' ' ' LEU . 13.3 t -69.81 -52.36 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -56.67 -45.79 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 18.1 t0 -59.68 -42.4 92.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.77 -62.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.93 -48.99 78.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -60.7 -25.23 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -81.14 -27.83 35.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.06 -41.8 14.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -22.61 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.12 -26.21 18.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.77 144.61 54.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -139.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 51' ' ' ALA . 4.1 m-85 -154.15 149.2 26.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -119.35 179.01 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.36 116.29 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 178.68 -150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.657 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 84.43 157.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -40.11 78.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.486 ' CB ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -68.01 -21.23 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.43 87.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -166.6 179.6 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 2.8 p -176.93 161.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . . . -158.77 144.77 16.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.06 126.56 36.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -159.92 10.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.429 1.08 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 55' ' ' SER . 4.0 mtp180 -156.33 164.98 37.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 1.1 m 154.31 -175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.014 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.513 ' HA ' ' CG2' ' A' ' 177' ' ' ILE . . . 38.17 30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 63.36 52.27 48.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.167 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 172.01 160.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.454 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.1 p -62.92 173.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.66 125.45 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.2 t -108.32 107.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 3.0 tm? -103.6 109.08 20.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.532 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -119.64 170.3 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 177.35 120.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.775 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.1 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.493 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 33.2 mmt180 -85.02 -82.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.18 -21.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 59.79 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.533 ' C ' ' O ' ' A' ' 68' ' ' TYR . 52.3 ttm -25.18 -89.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -72.22 -37.83 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.561 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.3 tt0 -58.49 -31.25 67.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.901 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.4 t -79.39 -57.84 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.94 -50.38 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.971 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.59 -46.75 45.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.5 tt0 -43.17 -51.89 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.236 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 55.2 mt -67.67 -46.39 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.971 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.97 -46.24 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.53 -40.99 65.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.68 -50.07 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -18.02 61.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.702 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -74.18 -45.08 50.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.34 -15.02 41.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 p 54.96 50.95 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.532 ' CG2' ' OD1' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -97.99 161.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -83.87 155.29 64.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.669 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -5.25 16.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.07 -15.23 58.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.381 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -109.21 -14.28 14.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.43 124.79 41.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.49 ' CD1' HG11 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -138.5 116.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.493 HG23 ' CG2' ' A' ' 8' ' ' VAL . 4.5 t -107.4 132.54 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -112.77 143.64 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.653 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 12.1 t-160 -149.61 168.73 22.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.555 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -100.32 144.22 29.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' CG ' ' CE1' ' A' ' 115' ' ' HIS . 3.5 t0 -150.91 167.55 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.35 104.95 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -98.25 -81.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 -72.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 138' ' ' GLY . 13.3 tt0 -85.87 163.15 18.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -93.79 43.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.441 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -175.88 52.54 0.12 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.515 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.5 mmm-85 -133.95 156.67 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.522 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.6 pp -118.15 161.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.25 105.32 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.471 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.6 129.91 53.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.614 1.196 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -151.54 -179.43 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.2 OUTLIER -134.59 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.495 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.11 -68.91 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -67.42 123.1 19.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 154.04 171.02 20.64 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 64.86 152.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.792 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.34 -63.28 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -94.52 -49.42 2.36 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.475 ' CE1' ' CG ' ' A' ' 96' ' ' ASP . 18.5 m170 -42.92 127.19 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.727 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.39 -47.3 76.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.28 -57.25 20.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.567 1.167 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.401 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 10.8 mt -53.31 -42.69 66.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.43 ' O ' HG11 ' A' ' 122' ' ' VAL . 4.6 ttm180 -59.78 -38.02 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.423 ' O ' ' HB1' ' A' ' 124' ' ' ALA . 5.1 t -71.67 -30.01 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 125' ' ' LEU . 2.3 t -69.59 -44.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.606 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.89 -37.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.456 ' N ' HG11 ' A' ' 122' ' ' VAL . . . -73.74 -37.31 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.64 -50.44 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.757 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 20.0 mt -77.72 -21.67 51.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.606 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.24 1.39 63.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 122' ' ' VAL . 0.4 OUTLIER 77.42 118.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 56.6 mmtt -141.02 8.53 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.633 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.0 m-20 92.97 20.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.757 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 54.8 m-85 -54.84 150.46 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -84.35 157.31 21.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 9.1 mtt180 -141.84 150.83 42.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.8 t -137.48 84.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.2 mtp180 -87.99 144.15 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.522 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 4.9 mp -98.77 148.42 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.496 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -109.73 96.18 0.93 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.611 1.194 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.542 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -114.08 62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.4 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.94 98.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.445 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 0.3 OUTLIER -68.34 -25.71 65.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.8 -30.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.47 ' CD2' ' HB ' ' A' ' 20' ' ' THR . 1.2 mt -111.16 34.85 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 mm-40 -68.4 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.623 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.7 t-20 157.48 51.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.637 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -67.17 27.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.623 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.13 -51.87 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.509 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.637 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -47.15 -41.39 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.394 1.059 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.585 ' O ' ' N ' ' A' ' 162' ' ' VAL . 13.9 mt-10 -73.42 -32.26 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.033 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.62 -42.26 87.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.475 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -78.31 -34.45 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.614 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.4 mm-40 -74.71 -36.51 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -55.42 -51.93 75.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.033 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.97 -25.36 12.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.614 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -65.07 -61.63 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.564 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -65.9 -54.5 26.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.5 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 76.8 m -46.01 -44.8 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 108.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -59.48 -45.19 92.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.59 ' HG3' ' N ' ' A' ' 169' ' ' ALA . 1.7 pt20 -66.34 -41.89 88.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.59 ' N ' ' HG3' ' A' ' 168' ' ' GLN . . . -68.62 -37.82 80.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.38 -37.48 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.25 -45.02 77.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.547 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -57.78 -41.4 82.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.7 m -65.02 -51.87 59.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.524 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -55.93 -48.62 75.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.524 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -62.53 -38.6 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 4.3 tt -54.51 -46.35 73.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.513 ' CG2' ' HA ' ' A' ' 56' ' ' ALA . 8.8 mt -67.83 -34.18 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -48.13 77.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -144.88 -71.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.67 177.03 34.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 21.1 ptp -86.45 -19.15 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 0.731 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.4 mt-10 -40.96 -50.72 7.6 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.95 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.51 1.795 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.607 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.51 -39.81 94.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.552 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -71.65 -39.91 70.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.092 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 53.7 t30 -78.78 -22.01 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.81 -53.67 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.621 ' C ' ' H ' ' A' ' 190' ' ' ALA . 40.5 t -87.02 -58.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -70.43 22.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.621 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -89.18 -49.97 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.515 ' HE1' ' NE2' ' A' ' 168' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.05 130.73 13.48 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -133.87 141.37 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -109.17 145.8 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.493 ' CG1' HG13 ' A' ' 91' ' ' ILE . 15.8 m -131.77 139.26 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -127.84 124.88 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.51 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -91.74 110.18 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.597 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -93.29 99.22 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.61 -147.1 8.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.554 1.159 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.569 ' ND2' ' CG ' ' A' ' 22' ' ' HIS . 3.0 m-20 -136.03 120.37 12.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.01 114.78 4.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.427 1.751 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.12 -154.99 9.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 71.29 134.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 0.776 . . . . 0.0 109.285 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -65.07 -11.95 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -17.69 63.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.04 70.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.472 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -49.95 -30.42 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -78.42 28.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.588 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 63.59 15.58 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.569 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 1.9 t-160 -66.07 8.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.588 ' H ' ' C ' ' A' ' 21' ' ' ARG . 17.4 t-20 -129.76 38.17 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.1 OUTLIER -59.93 -42.91 94.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.34 -55.59 21.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.596 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -78.4 -22.92 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 7.0 t -74.9 -38.51 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -42.35 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . . . -63.79 -44.96 91.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.4 t70 -67.56 -37.65 82.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -54.63 -56.96 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.39 -48.03 80.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -70.87 -41.15 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -80.06 -43.24 22.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.06 -166.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.76 -16.56 70.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.587 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 39.07 101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.69 31.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -82.53 -163.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 111.055 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.07 -166.63 2.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 1.056 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -173.0 144.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ALA . 16.9 t-80 -143.24 177.28 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.554 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -85.87 -165.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' LYS . 14.0 ttt85 36.22 -143.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.587 ' CB ' HD23 ' A' ' 79' ' ' LEU . 40.7 p -70.5 53.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -130.67 -66.86 0.1 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' HIS . . . 47.39 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.496 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.8 mt-10 -73.6 142.96 46.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.493 HG12 ' CB ' ' A' ' 63' ' ' ALA . 33.3 m -153.95 120.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -119.55 110.08 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.75 125.02 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.42 120.41 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 118.45 11.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' GLY . 82.8 p -179.11 -172.45 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.33 31.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 59.35 57.03 21.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' NE ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -174.5 156.08 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.91 168.05 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.5 pp -171.39 111.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 6' ' ' LEU . 7.1 t -103.92 99.61 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 1.4 tm? -89.43 110.05 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -127.52 171.06 11.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER 177.99 123.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.618 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.98 -153.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.431 1.753 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 26.5 mmt85 -81.36 -84.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -47.08 -17.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.664 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 68' ' ' TYR . 18.8 ttm -37.89 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.512 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 6.7 t-20 -60.85 -38.84 86.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 1.6 tp10 -52.64 -45.35 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 68' ' ' TYR . 46.2 t -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.933 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.592 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.83 -51.73 8.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.935 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.95 -54.89 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.59 ' O ' ' CG ' ' A' ' 79' ' ' LEU . 10.3 mm-40 -42.66 -48.66 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.73 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.4 mm -67.25 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.09 -69.49 0.15 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.571 1.17 . . . . 0.0 111.064 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.935 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.59 ' CG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.97 -40.01 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.73 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.12 -50.46 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -15.95 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.3 t80 -75.67 -44.17 43.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.97 2.75 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.3 m 51.77 46.5 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.4 t -118.37 155.43 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.14 61.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.529 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.09 -22.26 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -8.14 3.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.7 m-20 -106.13 -19.49 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 34.3 mt -86.87 134.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -133.55 120.13 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 2.5 p -102.24 123.47 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.51 HG23 ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -101.77 140.36 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.597 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 7.6 t-160 -145.4 176.67 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.454 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -108.57 142.13 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.733 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -157.0 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 149' ' ' PHE . 2.5 pt? -104.97 116.11 31.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 138' ' ' GLY . 36.4 m-20 -102.13 -80.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 138' ' ' GLY . 24.2 mt -129.13 -79.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 138' ' ' GLY . 37.7 mp0 -90.29 168.56 11.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.503 ' O ' ' CG ' ' A' ' 161' ' ' GLU . 6.2 m-85 -92.39 85.39 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.34 46.8 0.03 OUTLIER Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.521 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 1.6 tmm_? -133.59 154.49 50.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.483 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 1.4 pp -118.84 154.49 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 134' ' ' ARG . 17.5 ttt180 -137.49 104.51 5.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.38 125.67 51.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.073 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -141.95 161.98 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -108.03 -54.66 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.523 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -83.24 -44.84 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 36.38 -127.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.4 89.13 0.1 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.53 -47.83 1.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.01 109.89 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.25 61.81 0.64 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.45 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 172.85 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 0.729 . . . . 0.0 109.601 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 120' ' ' SER . 7.2 m120 -72.88 -41.92 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -66.52 -55.13 19.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.055 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.45 ' HG ' ' CG ' ' A' ' 115' ' ' HIS . 15.7 mt -57.08 -52.59 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.8 m -70.86 -30.78 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.472 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 53.6 t -71.63 -41.98 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 126' ' ' GLY . 11.5 t -73.62 -29.54 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.54 -36.61 63.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.592 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -76.63 -46.68 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 mt -78.87 -22.33 46.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.7 4.5 61.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 87' ' ' PRO . 1.9 t -138.28 161.18 37.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.603 ' HD3' ' C ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -121.55 21.98 10.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.9 -3.31 24.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.607 ' CE2' ' HG3' ' A' ' 132' ' ' ARG . 2.3 p90 -82.0 176.53 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.447 ' CG ' ' HB ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -124.93 165.36 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.607 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -142.5 150.44 40.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 11.5 t -124.29 85.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.2 mtp180 -86.96 144.62 26.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 2.7 mp -98.54 148.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.511 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -112.84 96.65 0.83 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.733 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -107.86 101.7 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.25 84.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 97' ' ' LEU . 6.7 t80 -75.31 -19.89 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.484 HG23 ' CD2' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -79.52 -37.43 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.249 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.537 ' CD2' ' ND1' ' A' ' 22' ' ' HIS . 2.8 mt -106.73 51.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.4 mt-10 -66.27 -104.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 16.7 t30 150.78 46.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.636 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -72.21 28.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.598 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -20.47 -53.06 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.511 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -71.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.636 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -40.44 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.747 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.8 mt-10 -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.44 -45.5 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.455 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -76.65 -35.65 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 6.2 mm-40 -76.82 -36.1 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.747 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.1 t -52.32 -50.71 78.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -30.47 7.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.519 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 14.6 m -56.54 -51.91 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -81.67 -46.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.518 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 23.6 m -49.01 -48.59 43.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 8.6 pt-20 -68.78 -47.11 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.556 ' OE1' ' CD1' ' A' ' 191' ' ' TRP . 6.1 tt0 -60.19 -48.87 79.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.68 -41.52 96.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.37 -38.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -57.31 -42.11 81.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -66.07 -53.92 32.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.29 -43.3 83.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -67.35 -41.43 85.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 4.8 tt -52.75 -43.49 65.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 49.2 mt -77.39 -27.66 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -67.2 -31.77 72.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -155.56 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -162.43 173.77 38.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.427 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 0.9 OUTLIER -85.49 -24.11 27.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 0.753 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -39.49 -51.57 4.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.98 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.579 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.53 -39.51 93.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.0 tt0 -72.49 -39.56 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 57.0 t30 -79.06 -20.07 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 183' ' ' PRO . 3.8 ttt180 -97.28 -53.21 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.639 ' C ' ' H ' ' A' ' 190' ' ' ALA . 41.1 t -87.54 -57.58 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.575 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -69.11 23.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.639 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -138.45 60.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.556 ' CD1' ' OE1' ' A' ' 168' ' ' GLN . 23.6 m-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.542 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.97 163.44 35.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.396 1.735 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.64 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.82 164.72 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -106.8 144.19 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.474 HG12 ' CG1' ' A' ' 91' ' ' ILE . 15.0 t -125.6 143.55 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -136.86 120.06 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.74 110.22 3.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.601 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.67 115.48 28.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.555 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.33 -144.39 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.01 116.43 11.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.4 Cg_endo -74.97 2.37 6.69 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.09 -120.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 173.06 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -46.64 -43.18 17.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 5.0 t80 -88.37 -19.14 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.72 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 21' ' ' ARG . 6.2 tpt180 -58.18 -12.94 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.433 HG22 ' C ' ' A' ' 151' ' ' LEU . 48.9 p -77.24 21.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.579 ' C ' ' H ' ' A' ' 23' ' ' ASN . 1.6 mmm180 65.48 7.49 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -68.25 10.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.579 ' H ' ' C ' ' A' ' 21' ' ' ARG . 62.5 t30 -119.44 11.72 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' HG ' ' CB ' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -40.8 -46.13 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.499 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -49.18 -58.74 7.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -79.9 -19.88 47.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 0.785 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.1 t -75.24 -42.35 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.84 -36.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.3 94.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.29 -46.86 69.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.83 -56.42 12.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.07 -49.56 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -60.97 -45.04 96.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.69 -40.01 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -47.54 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -173.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -85.65 41.4 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -29.63 119.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.58 35.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -79.1 -164.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.74 -165.72 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.98 52.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.14 109.95 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.545 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -72.53 -60.71 2.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.235 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -36.81 -45.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.01 -49.89 7.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' HIS . . . 97.5 65.57 0.9 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.57 170.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.48 148.01 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 63' ' ' ALA . 2.3 m -142.29 119.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.514 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -120.91 107.12 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.416 ' CG2' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -100.46 125.42 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.98 -161.93 8.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -149.19 169.82 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.222 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER 157.69 172.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.496 ' HB2' ' CG2' ' A' ' 177' ' ' ILE . . . 46.02 22.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 70.18 49.69 31.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -179.38 152.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.542 ' CB ' ' HB3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -79.0 171.8 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.2 129.57 5.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 6' ' ' LEU . 32.7 t -106.63 102.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.452 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 1.0 OUTLIER -101.03 113.26 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.461 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . . . -127.08 175.06 8.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.25 122.39 0.21 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.697 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 -154.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.5 ' C ' ' N ' ' A' ' 68' ' ' TYR . 7.4 mmt180 -84.74 -87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.437 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -45.85 -21.44 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.878 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 62.49 -81.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.498 ' C ' ' O ' ' A' ' 68' ' ' TYR . 7.8 ttm -29.18 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -64.57 -35.88 82.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.4 mt-10 -59.69 -30.23 68.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.878 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.4 t -77.26 -57.64 3.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.66 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -43.78 -50.72 7.15 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.507 1.129 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.27 -48.57 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.385 0.697 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 3.8 tp60 -41.55 -50.83 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.739 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.7 mt -68.26 -44.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.0 -67.5 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.91 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.446 1.761 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -53.3 -40.74 64.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.739 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -48.95 65.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -17.43 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.746 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -73.36 -45.79 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.543 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 27.8 m-85 -89.0 -15.85 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.4 p 55.27 53.07 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.058 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.543 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 2.7 t -101.42 176.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.62 124.76 81.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.444 ' O ' ' CG2' ' A' ' 90' ' ' ILE . 18.5 Cg_endo -74.97 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.41 1.12 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.64 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 2.0 m-20 -116.23 1.88 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -93.27 128.16 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.52 HG21 ' CD1' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -126.14 114.98 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.0 p -103.42 124.96 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.511 HG21 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -108.37 148.38 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.601 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 9.5 t-160 -157.11 169.23 25.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.523 ' OD2' ' CB ' ' A' ' 21' ' ' ARG . 11.5 t0 -100.68 143.56 30.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.6 t0 -157.74 154.32 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.49 ' H ' ' CD2' ' A' ' 97' ' ' LEU . 1.1 pt? -86.61 96.77 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -89.9 -70.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.441 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -132.68 -94.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 171.57 9.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 149' ' ' PHE . 1.6 m-85 -92.52 105.26 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.436 ' O ' HD12 ' A' ' 165' ' ' ILE . . . 126.77 39.97 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.521 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 2.0 mmm-85 -133.04 156.82 46.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.483 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.8 pp -120.33 161.54 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.0 ttm180 -149.77 105.64 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.494 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.75 131.71 51.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.43 179.09 8.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.555 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.4 tp -120.89 -89.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.555 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -65.17 -50.29 57.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.05 76.52 0.73 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -138.53 -160.72 8.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 49.38 77.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.05 54.63 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.24 60.26 2.42 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.437 ' NE2' ' OD2' ' A' ' 96' ' ' ASP . 2.0 m-70 -130.45 118.55 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 109.586 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -58.39 -37.33 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.5 -64.89 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 121' ' ' VAL . 6.2 mt -53.69 -50.11 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.1 ttt180 -58.71 -31.1 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.2 m -75.19 -28.17 59.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.66 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -70.87 -43.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.388 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.489 ' N ' HG12 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -67.6 -46.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -68.51 -38.69 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -64.63 -43.39 93.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.495 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -80.33 -23.59 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 65.16 7.88 33.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.97 -153.38 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.66 35.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -135.7 97.76 3.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -175.72 -179.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.505 ' CB ' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -127.55 164.45 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.518 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -144.42 150.66 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 17.5 t -121.76 89.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mtp85 -88.28 143.29 27.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 4.9 mp -102.94 147.57 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -99.71 104.66 2.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.61 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.3 pp -115.14 89.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.54 92.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 101' ' ' PHE . 1.6 t80 -77.31 -27.25 52.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.98 -30.45 46.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -81.96 9.43 8.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.641 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 tp10 -106.59 -119.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.641 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 5.5 t30 144.42 145.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.664 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.5 OUTLIER -78.49 39.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -12.01 -56.28 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.664 ' N ' ' O ' ' A' ' 154' ' ' PHE . 17.9 Cg_endo -75.08 -82.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.609 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -43.94 -26.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.76 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.0 tt0 -77.71 -40.95 39.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.015 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.35 -42.07 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.06 -35.56 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.668 ' O ' ' N ' ' A' ' 165' ' ' ILE . 3.0 tt0 -79.06 -35.0 43.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.76 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -52.16 -54.06 45.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.015 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.0 Cg_endo -75.03 -34.93 3.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.801 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.458 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 17.7 m -71.9 -40.34 68.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.668 ' N ' ' O ' ' A' ' 161' ' ' GLU . 4.3 tp -76.06 -57.83 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.561 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 69.6 m -45.97 -48.48 16.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.18 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 4.1 tt0 -61.16 -47.79 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 188' ' ' VAL . 3.0 mm100 -62.2 -48.57 79.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.48 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.32 74.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.586 ' CB ' HG22 ' A' ' 188' ' ' VAL . . . -59.72 -39.28 84.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.8 m -62.39 -51.81 66.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -55.92 -48.03 76.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.1 OUTLIER -64.61 -34.73 78.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.559 ' CD1' ' CB ' ' A' ' 181' ' ' MET . 7.1 tp -54.65 -54.52 40.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.496 ' CG2' ' HB2' ' A' ' 56' ' ' ALA . 7.6 mm -72.47 -22.93 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.232 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -72.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -114.4 -73.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.54 -159.57 9.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.559 ' CB ' ' CD1' ' A' ' 176' ' ' LEU . 1.0 OUTLIER -105.59 -20.37 13.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.933 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.564 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -47.81 -48.14 61.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.07 -38.57 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.69 -40.33 92.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.563 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -69.9 -39.57 76.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.9 t-20 -79.9 -22.23 43.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.9 ttt180 -93.37 -53.81 3.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.621 ' N ' ' O ' ' A' ' 184' ' ' ALA . 79.2 t -88.47 -57.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.563 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 41.2 t-80 -70.83 14.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.561 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -68.1 -32.92 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 191' ' ' TRP . 5.1 p-90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 107.975 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.22 42.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -129.61 137.98 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -107.34 145.83 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.387 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' A' ' 91' ' ' ILE . 10.0 m -135.66 140.62 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.482 HG23 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -130.88 125.18 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.496 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -90.71 107.92 3.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -88.05 94.95 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.4 -151.11 9.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -134.49 126.55 18.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 -0.19 9.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.74 -150.37 0.21 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.563 1.164 . . . . 0.0 111.055 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.96 -78.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 0.796 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -48.92 -35.78 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 -19.29 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.55 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -46.5 -24.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 p -77.11 30.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.6 ' C ' ' H ' ' A' ' 23' ' ' ASN . 2.2 mtt180 63.55 10.46 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CE1' HD23 ' A' ' 151' ' ' LEU . 0.9 OUTLIER -64.54 7.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.6 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.3 t-20 -122.92 19.6 10.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -37.58 -47.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.518 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.09 -58.31 10.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -77.23 -20.83 54.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -75.0 -42.06 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.432 HG23 ' CD1' ' A' ' 24' ' ' LEU . 4.0 t -73.39 -48.54 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.37 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . . . -56.21 -45.42 79.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -61.08 -48.95 79.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -49.87 -59.88 3.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.1 mt -51.75 -50.13 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -61.08 -44.72 96.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -49.49 -40.13 36.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -52.89 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -174.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -86.31 41.06 3.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -28.74 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.41 75.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.754 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -141.0 -156.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.21 -164.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.79 125.46 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -59.62 110.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -68.77 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -40.16 -39.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.57 -50.69 8.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.47 54.49 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 43' ' ' HIS . . . -167.96 165.82 13.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.7 mt-10 -80.1 144.66 32.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.8 m -141.41 113.68 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.754 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -116.02 111.47 20.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.33 125.94 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.47 125.65 4.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -140.91 96.15 2.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -166.76 -160.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.947 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 177' ' ' ILE . . . 43.14 27.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . 63.18 43.87 97.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.168 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 178.41 151.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.313 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.79 179.35 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -178.02 112.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.433 ' O ' HG21 ' A' ' 7' ' ' VAL . 55.8 t -101.99 103.68 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 29' ' ' ALA . 1.3 tm? -97.42 110.35 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . -128.7 171.38 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -179.16 123.47 0.24 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.652 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.09 -156.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' C ' ' N ' ' A' ' 68' ' ' TYR . 25.0 mmt180 -82.21 -84.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.02 -17.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.7 m-85 60.95 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.47 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 31.1 ttm -38.42 -96.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.87 -34.55 73.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.583 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -56.87 -45.17 82.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.7 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -65.02 -55.27 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.649 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -41.2 -53.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.19 -46.87 21.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 0.811 . . . . 0.0 110.296 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.583 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.9 mm-40 -49.24 -47.5 46.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.37 -48.45 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.386 1.054 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.01 -65.81 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.04 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.93 -50.76 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -16.13 61.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -75.3 -44.76 43.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -81.36 4.01 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.6 t 50.62 45.03 27.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.507 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 22.2 t -120.92 151.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.55 155.67 68.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.6 Cg_endo -75.0 -9.91 20.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.39 55.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.682 ' O ' ' N ' ' A' ' 6' ' ' LEU . 2.2 p30 -107.09 -19.47 13.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.418 ' C ' HG21 ' A' ' 91' ' ' ILE . 14.6 mt -87.04 130.89 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.485 ' CD1' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -133.19 142.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.482 ' CG2' HG23 ' A' ' 8' ' ' VAL . 46.2 t -119.59 123.72 71.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.518 ' CD1' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -104.34 141.74 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 9.0 t-160 -148.95 -179.92 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.474 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -109.28 144.17 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 135' ' ' ILE . 5.8 t0 -149.59 170.97 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 150' ' ' VAL . 0.8 OUTLIER -103.23 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.48 -85.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 mt -137.42 -62.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.6 mt-10 -89.53 164.55 14.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -92.38 14.27 17.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -151.43 59.88 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.592 ' NE ' ' CD2' ' A' ' 191' ' ' TRP . 76.5 mmt-85 -136.12 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.1 pp -122.19 161.53 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 134' ' ' ARG . 7.5 ttt180 -147.85 108.19 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.53 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.9 140.94 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -155.96 173.02 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.491 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.7 OUTLIER -102.97 -104.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.28 -41.47 39.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 45.05 -92.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 109' ' ' GLY . . . 131.21 42.16 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.9 mp0 39.45 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -36.8 -61.99 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . 173.87 78.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 58.3 m80 -157.16 135.92 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 120' ' ' SER . 0.5 OUTLIER -62.29 -24.22 67.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -66.31 -64.75 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.602 ' O ' HG12 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -54.54 -49.79 69.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -33.93 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 7.8 t -69.84 -29.54 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.649 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.64 -41.83 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.562 ' N ' HG12 ' A' ' 121' ' ' VAL . 26.0 t -65.18 -39.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.01 -40.34 71.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -72.19 -39.54 68.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.624 HD23 ' CB ' ' A' ' 80' ' ' ALA . 5.8 mt -79.89 -22.19 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.01 6.48 73.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 71.86 133.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 110.347 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.1 tmtt? 176.21 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.6 m-20 82.1 102.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -135.77 160.29 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 83.3 mt-30 -111.74 154.1 25.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.424 ' NH2' ' CG1' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -142.01 148.8 39.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.9 t -140.86 85.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -91.3 145.33 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.564 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.9 mp -97.28 149.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.551 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -106.82 98.39 1.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.484 HD11 ' N ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -115.83 65.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.45 -39.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.582 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -73.9 -34.8 64.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -61.14 -36.05 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.247 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 22' ' ' HIS . 39.3 mt -101.25 36.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.582 ' HG3' ' CD1' ' A' ' 149' ' ' PHE . 0.8 OUTLIER -68.32 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.167 . . . . 0.0 110.299 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.604 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.9 t30 159.41 48.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.631 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -68.45 28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.604 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.95 -51.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.455 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.513 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -74.98 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.631 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -45.76 -42.16 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.238 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.1 mt-10 -74.5 -30.03 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.971 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.21 -46.16 83.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.472 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.75 -33.97 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.592 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 3.4 tp10 -75.96 -37.39 58.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.3 -49.49 87.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.971 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.01 -28.72 8.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.507 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 22.2 m -64.77 -58.99 4.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.592 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.41 -54.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 68.5 m -46.09 -47.57 17.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 108.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -57.18 -46.23 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.428 ' O ' HG22 ' A' ' 188' ' ' VAL . 7.2 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.45 82.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.8 73.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.33 -44.73 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.531 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -59.14 -43.43 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.3 m -64.61 -51.15 64.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.406 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -57.44 -46.94 83.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.508 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.5 -35.93 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.4 tt -54.98 -50.6 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' A' ' 56' ' ' ALA . 47.1 mt -74.86 -24.02 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.79 -32.19 73.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.248 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -158.77 -71.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.87 176.6 35.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 4.3 ptp -89.62 -17.11 29.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 0.803 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.553 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -47.22 -48.23 55.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -75.04 -40.09 0.99 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.633 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.29 -37.06 85.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.2 tt0 -73.21 -40.35 64.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.466 ' C ' ' HB3' ' A' ' 190' ' ' ALA . 25.4 m-20 -78.93 -19.09 52.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 3.4 ttt180 -98.72 -52.44 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.633 ' N ' ' O ' ' A' ' 184' ' ' ALA . 38.3 t -88.65 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.7 t-80 -54.11 -11.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 188' ' ' VAL . . . -116.04 70.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.592 ' CD2' ' NE ' ' A' ' 103' ' ' ARG . 31.9 m-90 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 107.95 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo -75.03 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.84 136.41 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -114.49 143.7 44.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 5.7 m -134.01 143.02 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG22 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.09 125.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 112.3 4.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.627 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -96.26 113.42 25.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.408 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.33 -156.8 10.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.65 116.11 11.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.02 -91.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 31.85 -148.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -123.78 -90.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.39 -44.95 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.575 ' CE2' HD22 ' A' ' 151' ' ' LEU . 1.3 t80 -73.16 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . -49.12 -38.34 24.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.615 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.9 mpt_? -83.46 -97.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.545 ' C ' ' H ' ' A' ' 22' ' ' HIS . 70.7 p 40.19 18.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.6 mmp_? 65.1 -5.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.545 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.7 m80 -74.61 16.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' A' ' 21' ' ' ARG . 26.5 t-20 -115.3 2.38 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -38.44 -42.94 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -51.91 -58.03 11.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.615 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 8.6 t80 -80.48 -19.86 45.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.3 t -74.15 -41.39 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.438 ' CG2' ' SG ' ' A' ' 166' ' ' CYS . 40.4 t -78.14 -48.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.31 -35.42 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 13.9 t70 -70.64 -50.89 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -53.73 -52.39 60.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -59.26 -54.03 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.43 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -75.88 -34.03 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -43.57 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -36.27 79.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.228 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.15 -2.1 83.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -24.56 135.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -104.81 31.29 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.769 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -57.62 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -174.03 -164.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -137.4 103.68 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -175.12 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 54.38 170.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.55 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.444 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 24.1 p -69.22 -42.03 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.007 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.18 77.6 1.33 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 179.88 -178.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.601 0.824 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.617 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.5 tt0 -87.75 150.86 23.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 14.9 p -171.81 158.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.769 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -143.72 125.59 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 125.73 41.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.41 131.19 4.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 5.7 mtp180 -117.54 107.33 14.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 0.737 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.543 ' O ' ' O ' ' A' ' 58' ' ' ARG . 73.8 m -169.35 -172.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 64.92 10.21 6.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.9 26.42 31.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.9 mmt-85 -178.47 161.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -76.58 167.82 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.64 112.84 3.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.416 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 29.8 t -108.12 105.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.3 tm? -99.93 112.73 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' N ' HD23 ' A' ' 62' ' ' LEU . . . -115.5 165.29 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' CD ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -175.05 111.02 0.27 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.661 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.02 -157.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 68' ' ' TYR . 78.0 mmt-85 -87.71 -78.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -51.36 -17.87 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.358 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.738 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.5 m-85 59.63 -77.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 67' ' ' CYS . 31.8 ttm -33.37 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -69.7 -31.66 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.76 -34.21 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.738 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.4 t -80.45 -50.99 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -48.26 -48.98 26.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.975 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.54 -43.94 37.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 0.819 . . . . 0.0 110.276 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.1 tm0? -48.08 -50.41 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.792 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.55 -46.41 80.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.47 -68.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.975 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.43 -40.7 68.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.792 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.34 -49.46 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -16.94 60.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -73.48 -46.12 49.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.526 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 20.7 m-85 -84.77 -16.16 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.1 p 55.36 52.76 10.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.526 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 4.9 t -96.12 172.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.64 63.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.631 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.64 6.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.99 -0.31 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.479 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 90.5 m-20 -105.61 -29.59 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.512 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 7.4 mt -91.13 133.04 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.539 ' CD1' HG23 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -135.59 139.84 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.453 ' CG2' HG22 ' A' ' 8' ' ' VAL . 61.9 t -120.28 124.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 1.2 pt -104.92 143.36 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.627 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 9.3 t-160 -153.33 -178.01 6.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.499 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -105.64 142.16 35.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.511 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 1.7 t70 -149.77 160.81 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.418 ' CD1' HG23 ' A' ' 150' ' ' VAL . 1.8 mp -97.9 102.68 14.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -94.84 -75.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -134.53 -97.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.201 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.44 179.61 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.29 86.15 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.594 ' CD ' ' CH2' ' A' ' 191' ' ' TRP . 15.7 tpp180 -132.88 158.86 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.503 HG13 ' CH2' ' A' ' 191' ' ' TRP . 0.3 OUTLIER -123.65 161.47 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.4 1.062 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.8 102.05 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.47 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.53 131.43 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -149.92 174.05 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.533 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -94.5 -55.66 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.533 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.12 -45.11 0.83 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.21 -114.44 3.73 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.39 93.91 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 112' ' ' GLU . 1.8 tm-20 -78.83 72.64 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 0.834 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.84 -89.78 1.96 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -69.02 64.88 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 5.4 m80 -160.51 106.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -62.81 -38.96 92.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.3 -61.69 6.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.5 mt -51.39 -42.86 61.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 0.722 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -62.66 -36.24 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.163 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.43 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.458 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.8 t -69.14 -44.23 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 126' ' ' GLY . 15.1 t -72.52 -26.32 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.79 65.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -87.06 -43.98 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 130' ' ' PHE . 20.8 mt -78.47 -22.82 46.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.15 5.46 62.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 81.94 120.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 87' ' ' PRO . 36.1 mmtt -141.0 14.4 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 7.9 t0 80.52 17.17 0.62 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.631 ' CD1' ' HA ' ' A' ' 87' ' ' PRO . 38.3 m-85 -49.44 171.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.476 ' HG3' ' CD1' ' A' ' 108' ' ' ILE . 24.0 mt-30 -104.47 156.63 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.42 149.61 42.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.1 t -134.29 86.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -91.41 143.48 26.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.512 HG23 ' N ' ' A' ' 136' ' ' GLY . 2.7 mp -98.92 150.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.512 ' N ' HG23 ' A' ' 135' ' ' ILE . . . -102.51 96.35 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.587 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.64 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.17 98.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 4.2 t80 -74.96 -19.09 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -81.89 -29.14 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.575 HD22 ' CE2' ' A' ' 17' ' ' TYR . 3.4 mp -89.83 38.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.645 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.8 mm-40 -67.27 -104.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.1 t30 142.85 45.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.663 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -73.26 29.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.63 -53.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.529 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.08 -72.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.663 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.33 9.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 162' ' ' VAL . 17.9 mt-10 -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.003 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.6 OUTLIER -58.67 -43.4 89.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.497 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -78.8 -34.32 45.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.561 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.8 mm-40 -75.23 -36.85 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.637 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.4 t -54.68 -51.47 78.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.003 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -25.5 11.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.561 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -60.74 -57.03 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.537 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -75.13 -55.15 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 62.6 m -40.69 -43.97 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.9 tt0 -69.49 -44.83 70.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 165' ' ' ILE . 2.8 mm-40 -64.27 -50.11 69.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.472 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -64.75 -36.16 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -60.95 -40.44 93.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.94 -43.17 83.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.575 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.43 -42.14 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.2 m -62.78 -52.45 63.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.1 pt-20 -58.14 -47.2 84.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.501 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -65.46 -41.55 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.4 tt -50.22 -50.7 48.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 23.8 mt -75.68 -23.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -65.24 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -160.7 -71.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -155.19 173.37 33.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.4 ptt? -90.01 -17.48 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -48.87 -47.44 73.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.01 -38.79 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.654 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.64 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.397 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.603 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -71.17 -40.67 71.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 56.1 t30 -78.37 -20.95 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.482 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.64 -52.58 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.359 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.671 ' O ' ' CE3' ' A' ' 191' ' ' TRP . 36.4 t -87.77 -57.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -68.37 22.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.64 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -105.22 -35.29 7.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.671 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.41 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -74.99 158.88 41.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -124.56 137.37 54.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -106.74 146.81 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.509 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 40.4 t -129.85 146.23 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' CG2' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.2 121.17 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.67 113.77 4.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.581 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -89.13 90.35 8.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.461 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -109.1 -150.75 14.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 22' ' ' HIS . 52.2 t30 -139.62 126.43 12.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.727 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -9.93 20.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.96 -141.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.49 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 0.727 . . . . 0.0 109.312 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.472 ' CG ' ' N ' ' A' ' 17' ' ' TYR . 6.2 p30 -43.49 -46.29 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.576 ' CE2' ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -88.8 -19.77 25.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.937 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.69 -28.24 62.57 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.3 tpt180 -58.45 -58.18 9.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.686 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 71.5 p -30.82 -37.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.686 ' CB ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 141.43 6.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.37 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -61.54 3.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.659 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.589 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.7 t-20 -122.38 40.4 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.41 HD12 ' CD1' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -65.33 -56.37 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.93 -43.27 30.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -79.43 -30.68 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 3.4 t -71.46 -40.39 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 93' ' ' ILE . 2.4 t -71.79 -49.48 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HB1' ' CZ ' ' A' ' 40' ' ' PHE . . . -54.49 -48.68 71.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.04 -44.44 94.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -54.31 -62.44 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -54.93 -28.63 52.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.05 -54.49 8.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.03 -28.73 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -49.82 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -81.8 10.61 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.85 -52.16 0.52 Allowed Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -39.25 138.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 -141.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 2.5 m-85 -147.97 148.22 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -121.8 -164.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.403 ' H ' ' CG ' ' A' ' 41' ' ' LYS . . . -128.63 121.24 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 143.7 28.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -79.21 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 66.68 -63.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.9 m -115.62 -12.07 11.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.94 90.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.6 1.188 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -166.73 168.92 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.725 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.0 mm-40 -87.83 150.75 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.623 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 3.0 p -174.43 163.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . . . -167.12 145.6 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 127.31 33.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -118.83 112.0 2.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.96 116.01 30.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 0.729 . . . . 0.0 110.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 174.21 -159.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.936 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' CG2' ' A' ' 177' ' ' ILE . . . 41.72 28.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.29 48.51 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 168.33 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.44 165.48 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -162.09 123.21 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.41 ' CG1' ' CD1' ' A' ' 6' ' ' LEU . 53.5 t -104.78 106.65 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.623 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -94.08 113.4 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -127.89 168.12 15.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.573 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 172.36 120.75 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.749 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -154.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.727 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 8.7 mpt_? -80.8 -84.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.516 ' N ' ' HG3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -47.07 -21.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.761 ' O ' ' N ' ' A' ' 72' ' ' SER . 35.7 m-85 61.04 -80.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.515 ' O ' ' O ' ' A' ' 68' ' ' TYR . 2.1 ttm -32.27 -97.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.679 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 21.1 m-20 -62.7 -38.62 91.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.57 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -53.0 -45.69 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.761 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.2 t -65.25 -46.8 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.49 -52.86 7.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.928 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.17 -51.52 10.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 28.8 mm-40 -44.49 -49.42 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.739 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.67 -48.52 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.13 -67.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.928 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.86 -45.65 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -54.47 -40.77 68.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.739 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.54 -50.08 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -16.73 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -74.51 -44.77 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -80.2 2.15 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.0 t 52.63 45.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.2 t -112.8 147.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.74 165.14 43.51 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.501 ' HG3' ' CB ' ' A' ' 128' ' ' LYS . 18.3 Cg_endo -75.05 -21.75 15.43 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.558 1.82 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -11.1 38.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 6' ' ' LEU . 65.4 m-20 -110.6 -11.93 14.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 81.8 mt -93.02 135.55 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -133.81 117.44 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.537 ' CG1' ' HG ' ' A' ' 10' ' ' LEU . 57.5 t -103.26 122.71 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.68 145.87 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -154.14 179.51 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.6 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CG ' ' CD ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -108.02 143.04 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -152.21 152.12 31.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.489 ' CA ' ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -89.7 111.95 23.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 138' ' ' GLY . 3.4 t70 -117.7 -68.46 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.46 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 10.6 mp -124.07 -106.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -89.61 172.08 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -86.8 64.0 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 175.02 46.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.644 ' NH2' ' CE1' ' A' ' 189' ' ' HIS . 3.2 mmm-85 -138.83 165.2 27.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.1 pp -125.47 157.58 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.612 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -150.1 94.91 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -105.45 144.4 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 106' ' ' LEU . 9.2 mtpt -156.99 -178.5 7.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.537 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -127.26 -80.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.537 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -46.14 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.17 133.22 52.77 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 179.26 -97.34 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' GLY . 7.8 tt0 -37.39 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.374 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.28 -64.94 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -145.92 66.05 0.43 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -135.1 129.68 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -64.42 -41.29 96.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.17 -66.43 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.44 -43.89 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.9 ttt-85 -60.65 -34.86 74.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 6.1 t -73.77 -32.36 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.052 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.515 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 3.7 t -74.01 -41.14 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.592 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -65.5 -41.22 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.436 ' N ' HG12 ' A' ' 122' ' ' VAL . . . -70.39 -37.91 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -72.23 -48.04 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.452 HD13 ' CG1' ' A' ' 121' ' ' VAL . 14.2 mt -78.73 -20.42 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 80.25 2.48 89.17 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.556 ' OG1' ' CG2' ' A' ' 122' ' ' VAL . 0.5 OUTLIER 69.84 117.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 0.824 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 12.8 mmtt -148.93 17.05 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 5.7 m-20 82.23 95.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 4.4 p90 -125.3 171.96 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -102.33 156.63 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -141.01 151.45 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 9.5 t -137.64 86.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.612 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -89.79 145.37 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.5 mp -100.52 149.0 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.495 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -95.13 95.01 1.81 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.4 pp -105.8 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.489 ' O ' ' CA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.81 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.3 t80 -74.58 -22.73 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.449 HG11 ' CD2' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -80.4 -27.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 17' ' ' TYR . 3.4 mm? -90.94 39.07 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.0 mm-40 -60.63 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.2 t-20 152.13 47.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.697 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.6 OUTLIER -69.25 32.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.651 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -11.87 -54.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.697 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.0 -81.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' A' ' 154' ' ' PHE . . . -43.03 -27.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.478 ' N ' ' HB3' ' A' ' 154' ' ' PHE . 1.0 OUTLIER -79.43 -43.37 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.011 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -75.18 -30.77 60.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.518 ' N ' ' HG3' ' A' ' 159' ' ' ARG . . . -75.3 -40.7 58.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.641 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 4.7 mm-40 -78.46 -35.85 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -48.66 -52.78 42.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 109.376 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.011 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -35.2 3.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.614 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -53.95 -53.32 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 110.487 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.641 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -76.76 -50.35 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 17.2 m -44.29 -50.37 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -64.81 -46.09 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 167' ' ' GLU . 2.1 mp0 -60.43 -42.99 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.6 -42.64 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.58 -39.8 68.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.49 -45.03 73.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.222 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.569 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -56.73 -43.95 81.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.629 1.206 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -64.9 -53.53 44.99 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.4 pt-20 -59.15 -47.34 85.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.5 OUTLIER -62.74 -39.13 93.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 4.6 tt -55.22 -46.99 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.409 ' CG2' ' O ' ' A' ' 56' ' ' ALA . 4.0 mt -68.48 -29.91 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -41.36 98.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.5 -72.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.21 173.45 35.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.462 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 2.4 ptp -87.46 -16.82 33.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -44.43 -50.03 23.66 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.527 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.9 -38.42 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.13 -39.53 94.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' C ' ' A' ' 189' ' ' HIS . 1.6 tt0 -70.38 -40.02 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 4.4 m-20 -79.61 -23.13 42.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -91.43 -54.36 3.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.222 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.615 ' O ' ' CZ3' ' A' ' 191' ' ' TRP . 80.8 t -88.28 -56.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.644 ' CE1' ' NH2' ' A' ' 103' ' ' ARG . 23.9 t-80 -73.07 20.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.52 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -69.16 -41.14 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.615 ' CZ3' ' O ' ' A' ' 188' ' ' VAL . 44.1 p90 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 107.961 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -177.77 3.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -132.63 137.91 47.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.3 137.95 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.67 145.26 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.75 119.4 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.426 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -88.45 105.81 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -92.73 95.43 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 68' ' ' TYR . . . -118.77 -151.01 8.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 22' ' ' HIS . 17.9 t-20 -138.23 128.98 15.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.613 0.831 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -74.97 2.14 6.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.822 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -55.61 -159.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.405 1.065 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.8 -76.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -53.8 -37.35 63.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -18.79 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -29.06 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' C ' ' N ' ' A' ' 21' ' ' ARG . 21.7 mmt180 -53.98 -54.75 34.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.722 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 42.1 p -49.47 -14.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.357 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.722 ' CB ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 106.98 19.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.564 ' O ' ' N ' ' A' ' 12' ' ' ASN . 14.7 t-160 -63.96 5.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.5 t-20 -125.78 43.19 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.499 ' CD1' ' NE ' ' A' ' 21' ' ' ARG . 1.3 tp -62.49 -66.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.505 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -36.42 -48.07 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.2 -35.51 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.797 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 3.2 t -65.84 -41.28 89.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.64 -50.44 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.542 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -53.16 -48.55 67.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 t0 -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.02 -61.07 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.0 mt -50.94 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.69 97.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.375 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -53.86 -37.63 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -44.3 14.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.1 -168.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.85 -17.8 66.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.54 105.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.49 74.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.734 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -144.48 -155.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -165.85 -161.85 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.22 126.14 47.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -63.4 110.4 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -48.15 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.11 -65.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.547 ' CB ' ' CD1' ' A' ' 79' ' ' LEU . 4.2 p -70.14 -44.57 68.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.31 67.05 0.92 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.565 1.165 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' HB2' ' CA ' ' A' ' 65' ' ' PRO . . . -173.0 164.37 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.6 mt-10 -77.68 148.28 35.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.305 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.4 m -146.09 112.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.734 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -114.65 109.52 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.97 127.62 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.85 127.93 5.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.96 107.06 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -175.2 -162.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.85 26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.24 51.41 56.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG3' ' CG2' ' A' ' 177' ' ' ILE . 0.1 OUTLIER 171.64 153.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 0.803 . . . . 0.0 110.353 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.64 174.8 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.046 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 2.1 pp -173.92 107.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.493 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 40.9 t -98.97 109.56 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.542 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 1.5 tm? -99.63 113.97 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.462 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -126.93 163.19 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' CD ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -178.45 121.88 0.25 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.682 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -157.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.1 mmt180 -80.44 -85.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.66 -22.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 108.317 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.722 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.3 m-85 63.92 -80.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.469 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 19.7 ttm -38.41 -96.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.548 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 31.9 t-20 -58.54 -37.55 75.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -54.79 -50.68 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.722 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -64.68 -32.19 73.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.937 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -58.89 -50.67 65.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 1.119 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -85.19 -35.18 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 0.805 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 19.6 mm100 -63.08 -46.26 88.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.7 mt -73.75 -49.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -31.79 -61.06 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 1.119 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -48.22 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.428 1.752 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.09 -41.46 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.609 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.97 -49.63 64.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -16.78 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -74.64 -43.89 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.47 -4.03 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t 49.01 46.02 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.431 ' CG2' HD22 ' A' ' 89' ' ' ASN . 0.4 OUTLIER -101.44 162.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -81.93 148.8 61.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.626 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.98 -9.01 20.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.54 -6.91 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.657 ' O ' ' N ' ' A' ' 6' ' ' LEU . 27.0 p30 -112.12 -18.07 12.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.58 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -86.13 129.46 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -139.6 120.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.8 p -104.79 131.66 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -111.51 144.19 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.572 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 9.9 t-160 -156.92 171.7 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.623 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.507 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p30 -95.31 139.95 30.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 137' ' ' ILE . 6.4 t0 -146.03 160.8 41.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.9 114.3 26.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.34 -76.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' GLY . 8.3 mp -130.06 -98.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.436 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -90.31 174.58 7.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.61 ' CE1' ' CG1' ' A' ' 137' ' ' ILE . 1.4 m-85 -94.22 90.05 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 165' ' ' ILE . . . 150.2 41.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.546 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.8 mmm-85 -136.5 154.93 50.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.8 pp -116.81 160.42 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.4 tpm_? -149.08 104.96 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.514 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.0 139.54 38.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -152.68 171.33 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.563 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -95.64 -55.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -108.72 -57.78 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.35 -109.06 1.35 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.5 134.86 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -96.24 33.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.18 108.1 2.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.62 1.3 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.484 ' CD2' ' OD1' ' A' ' 96' ' ' ASP . 1.5 m80 -64.79 100.88 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 0.81 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.0 m-20 -58.61 -47.78 83.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.71 -55.15 24.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 10' ' ' LEU . 11.2 mt -58.49 -49.44 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.88 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 116' ' ' ASN . 7.4 t -69.7 -39.18 77.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.401 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 3.6 t -65.51 -43.52 94.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.532 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 75.8 t -73.31 -24.32 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.2 64.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -87.42 -45.16 10.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.697 ' CD1' ' CE2' ' A' ' 130' ' ' PHE . 21.2 mt -78.17 -23.36 47.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 72.08 5.83 62.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.43 119.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 0.722 . . . . 0.0 110.431 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 40.2 mmtt -136.83 16.07 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.613 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 16.5 m-20 91.64 6.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.697 ' CE2' ' CD1' ' A' ' 125' ' ' LEU . 17.5 m-85 -43.25 167.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -108.04 158.17 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.06 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.8 t -132.8 86.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 105' ' ' ARG . 10.3 mtp180 -88.39 145.82 25.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.56 HG21 ' N ' ' A' ' 136' ' ' GLY . 4.0 mp -104.41 149.75 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.56 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -95.37 105.74 3.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.636 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -111.96 101.53 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.95 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.26 -32.45 62.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.454 ' CG1' HD13 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -65.31 -36.5 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.227 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.454 HD13 ' CG1' ' A' ' 150' ' ' VAL . 0.3 OUTLIER -92.08 43.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.1 mm-40 -54.88 -48.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 9.8 m-20 91.13 44.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.653 ' O ' ' N ' ' A' ' 158' ' ' GLU . 1.1 m-85 -70.22 18.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.2 OUTLIER -22.27 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.487 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -66.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.45 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -49.3 -43.76 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.704 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.2 mm-40 -72.63 -29.81 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.024 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -60.53 -41.64 94.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.436 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -77.89 -35.8 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.48 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 3.9 mm-40 -78.53 -33.62 47.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.704 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -54.94 -52.22 72.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.024 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -74.98 -34.13 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.48 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -70.0 -49.28 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.596 ' CG2' ' N ' ' A' ' 166' ' ' CYS . 4.6 tp -70.51 -59.83 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.596 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 92.1 m -44.88 -47.29 11.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -57.52 -46.19 84.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.452 ' O ' HG21 ' A' ' 188' ' ' VAL . 0.7 OUTLIER -65.16 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.36 86.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.03 90.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -43.82 92.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.528 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -57.95 -41.64 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 6.5 m -60.95 -52.97 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.49 -47.23 82.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.509 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.08 -41.52 90.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.7 tt -49.78 -49.05 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 9.6 mt -76.87 -24.35 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.28 -31.4 72.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.21 -71.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -161.86 176.84 38.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 185' ' ' GLN . 4.5 ptp -88.01 -20.27 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -45.65 -50.36 32.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.94 -39.61 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -38.07 89.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.571 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.97 -40.47 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 58.0 t30 -78.47 -20.56 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.1 ttt180 -96.68 -53.06 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.679 ' C ' ' H ' ' A' ' 190' ' ' ALA . 60.4 t -88.04 -58.05 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.4 t-80 -67.93 23.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.679 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -108.03 45.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 108.011 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.01 164.27 33.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -133.34 140.53 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.4 tt -105.89 149.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.522 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 10.9 t -135.66 142.73 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.4 119.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.47 107.55 3.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.531 1.145 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.648 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -87.04 103.66 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.522 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -140.21 5.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.572 1.17 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.547 ' OD1' ' CG ' ' A' ' 22' ' ' HIS . 1.1 m120 -136.35 126.43 16.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.2 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . 66.35 134.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 166.97 123.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -54.77 -26.86 37.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.412 ' O ' ' OG1' ' A' ' 20' ' ' THR . 32.4 t80 -92.63 -17.95 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -72.13 -41.95 66.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' THR . 18.3 mmt85 -39.59 -46.1 1.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 53.9 p -33.43 -38.7 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.61 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.2 ptp180 156.17 -9.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 1.2 t-160 -53.93 -3.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.664 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.61 ' H ' ' C ' ' A' ' 21' ' ' ARG . 51.9 t30 -122.69 36.46 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 5.2 mt -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -53.06 -50.75 50.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.54 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 8.7 t80 -84.23 -24.72 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 7.9 t -72.92 -41.07 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.456 ' CG1' HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -82.58 -38.85 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -66.94 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.9 t0 -75.22 -48.8 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.49 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -55.71 -50.93 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' CB ' ' A' ' 170' ' ' ALA . 3.2 mt -57.04 -57.33 13.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.97 -21.06 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -78.48 -28.14 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -97.86 -44.77 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -21.46 61.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.84 -5.15 82.12 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -32.77 148.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -134.65 39.92 2.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.73 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -58.09 -152.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -174.93 -163.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.622 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -116.89 113.11 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.523 ' NE2' ' CB ' ' A' ' 48' ' ' ALA . 10.0 p-80 -67.05 144.69 56.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 -49.99 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -37.81 -70.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -42.83 71.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' ALA . . . 95.91 90.0 1.78 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' NE2' ' A' ' 43' ' ' HIS . . . 162.11 -174.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.5 tp10 -114.65 148.84 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.8 p -158.5 162.5 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.73 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -143.84 125.95 15.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.33 125.6 30.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -126.04 94.38 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' SER . 5.5 mtp180 -114.36 114.7 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.537 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER 164.42 -165.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.973 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 47.57 33.53 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.04 47.06 91.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.9 OUTLIER 171.99 161.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.21 169.38 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.056 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.5 pp -164.96 121.48 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.413 HG12 ' CD1' ' A' ' 6' ' ' LEU . 53.0 t -104.55 103.37 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -89.55 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -103.8 166.97 10.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.64 109.77 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.682 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.04 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.3 mmt180 -80.25 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.494 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -50.96 -15.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.622 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 11.2 m-85 60.79 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' CYS . 3.8 ttt -42.77 -94.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.71 -34.66 73.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -57.08 -43.57 82.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.682 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 41.1 t -66.42 -49.75 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -46.17 -52.62 10.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.386 1.054 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.979 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.92 -46.08 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.562 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.4 mm-40 -50.11 -48.04 53.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.781 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.6 mm -68.03 -47.44 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.9 -66.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.979 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.02 -46.81 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.812 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.41 -39.63 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.781 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.58 -51.09 54.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -72.77 -16.97 61.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.661 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -74.68 -44.44 50.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -80.51 0.29 34.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.2 p 54.1 47.09 24.04 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -122.74 151.03 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.224 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.79 166.21 35.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.529 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.06 -19.53 17.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.15 -10.19 6.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 56.7 m-20 -110.28 -25.47 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 6' ' ' LEU . 9.7 mt -87.23 137.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.402 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -135.87 143.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' HG21 ' A' ' 8' ' ' VAL . 22.6 t -120.83 132.38 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -110.07 147.48 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.648 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.0 t-160 -153.74 175.3 13.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.554 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.508 ' CB ' HD11 ' A' ' 24' ' ' LEU . 1.9 p-10 -100.1 141.01 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -152.03 165.66 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -101.31 132.03 47.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -127.33 -78.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.455 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 1.3 mp -131.17 -86.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.4 mp0 -89.06 167.53 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 7.5 m-85 -91.73 66.67 5.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.52 44.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.516 ' NE ' ' CD1' ' A' ' 191' ' ' TRP . 0.3 OUTLIER -135.66 163.34 30.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.555 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.3 pp -124.08 164.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.8 tpt180 -146.38 105.99 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.491 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.98 132.48 53.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -152.62 172.89 15.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.514 ' C ' ' CD1' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -118.62 -85.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -56.89 -85.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 35.67 -146.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -132.48 127.34 4.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.517 ' N ' HH22 ' A' ' 132' ' ' ARG . 0.1 OUTLIER -69.85 -17.49 63.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.51 -163.39 18.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.69 68.16 3.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.2 OUTLIER -110.46 128.51 55.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 120' ' ' SER . 1.5 m-80 -72.27 -35.34 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -70.91 -61.19 4.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.17 -50.7 68.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.8 ttm-85 -58.6 -42.36 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.349 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.6 t -66.62 -30.3 70.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.508 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 18.4 t -67.34 -44.52 87.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 127' ' ' THR . 41.6 t -71.89 -29.46 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.09 -41.5 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.61 -47.31 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -78.97 -24.49 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 63.41 8.47 25.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 0.3 OUTLIER -101.79 -152.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.7 tptt 179.72 78.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -168.94 24.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.209 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.529 ' HA ' ' O ' ' A' ' 87' ' ' PRO . 24.6 p90 -90.27 169.44 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -109.51 159.18 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -136.21 147.2 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 6.1 t -136.42 84.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.0 mpp_? -88.41 145.98 25.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.555 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 2.7 mp -95.82 150.04 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.45 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -104.47 97.51 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.619 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -110.94 100.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.596 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.115 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.71 92.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.18 -26.54 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -71.39 -36.07 59.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.422 ' N ' HG11 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -100.62 46.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -55.71 -88.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.5 t30 151.35 47.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.659 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.3 OUTLIER -74.26 27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.565 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -24.97 -51.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.608 1.192 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.4 Cg_endo -75.09 -66.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.611 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -48.83 -43.08 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.41 -31.33 65.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.006 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.93 -45.48 90.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.498 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -74.55 -36.24 63.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.594 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -75.19 -38.59 60.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.681 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -49.65 -50.95 63.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.006 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.95 -29.01 8.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.507 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.4 OUTLIER -64.95 -59.37 4.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.071 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.594 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.56 -53.78 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.677 ' O ' ' N ' ' A' ' 170' ' ' ALA . 35.2 t -47.24 -47.54 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.368 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -57.83 -47.25 83.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.407 ' HG3' ' CZ3' ' A' ' 191' ' ' TRP . 4.4 tm0? -65.84 -44.99 83.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.56 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.196 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.31 -47.06 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.14 -43.36 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.55 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -60.96 -41.58 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.8 m -63.51 -53.12 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.9 pt-20 -57.73 -42.52 84.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.434 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.2 tp -70.39 -41.27 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.58 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 3.5 tt -49.24 -47.32 46.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.492 HG21 ' N ' ' A' ' 178' ' ' GLU . 1.4 tt -71.45 -38.56 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.492 ' N ' HG21 ' A' ' 177' ' ' ILE . 0.4 OUTLIER -51.28 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -101.92 -76.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -167.38 -167.18 27.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -86.84 -14.64 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -50.12 -50.37 69.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -74.99 -38.04 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.805 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.2 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.615 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -67.47 -35.55 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.06 -22.89 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.02 -58.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.242 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -62.47 -47.08 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.615 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.03 16.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.561 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -140.1 85.77 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.516 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.2 Cg_endo -75.03 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.603 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -130.75 166.99 19.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.18 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -124.17 139.83 53.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' A' ' 91' ' ' ILE . 4.4 t -124.86 142.29 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.23 120.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.423 ' HA3' ' NZ ' ' A' ' 64' ' ' LYS . . . -100.92 110.32 3.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -93.93 108.73 20.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.14 -140.18 5.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.9 128.69 18.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.3 Cg_endo -75.0 -24.62 12.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.54 -147.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.68 -68.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.381 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -46.02 -38.88 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.445 ' CE1' HD21 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -93.41 -20.2 20.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 20' ' ' THR . . . -72.43 -37.57 68.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -44.85 -25.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' ALA . 18.4 p -76.79 24.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.582 ' C ' ' H ' ' A' ' 23' ' ' ASN . 1.4 mtt180 67.97 10.87 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.482 ' CE1' HD23 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -65.68 7.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.582 ' H ' ' C ' ' A' ' 21' ' ' ARG . 8.9 t30 -128.61 40.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.598 1.186 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -61.76 -45.7 92.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.53 -47.63 68.93 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.669 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 11.2 t80 -81.55 -25.02 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.736 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 10.7 t -76.72 -38.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.6 t -76.73 -47.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -61.42 -44.72 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.61 1.194 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.2 t70 -66.12 -39.74 90.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.507 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.19 -58.27 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.73 -52.4 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.9 -20.76 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.26 -28.29 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -83.63 -41.88 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.95 16.02 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 43.53 27.68 0.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . -45.9 173.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.03 58.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.607 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.61 -158.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.585 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.62 -163.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -144.33 150.92 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' ALA . 66.2 t60 -130.57 156.17 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' ARG . 2.3 pttp -62.87 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 36.89 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.361 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.461 ' CB ' HD22 ' A' ' 79' ' ' LEU . 33.0 m -66.48 57.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -125.65 -55.65 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 45.1 -169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.562 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 9.5 tp10 -76.41 149.3 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 11.0 p -173.06 158.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -143.63 126.77 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.72 127.21 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -117.56 118.45 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -141.55 91.35 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -170.05 -162.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 46.33 25.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.14 42.06 96.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 177.97 152.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -81.08 -177.12 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.057 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER 174.11 114.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.92 106.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -92.38 108.27 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -113.56 170.11 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.495 ' CD ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 177.71 118.84 0.18 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.686 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 -152.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.502 ' C ' ' N ' ' A' ' 68' ' ' TYR . 3.0 mmt-85 -90.06 -85.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.462 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -45.51 -22.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.86 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.5 m-85 61.85 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.517 ' C ' ' O ' ' A' ' 68' ' ' TYR . 53.8 ttm -27.67 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -70.79 -32.84 70.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.77 -32.71 72.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.6 t -78.83 -55.24 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.72 -50.93 8.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.951 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.13 -47.32 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.75 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -43.32 -51.37 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.773 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.78 -44.96 85.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.515 ' N ' HG22 ' A' ' 76' ' ' ILE . . . -29.21 -70.42 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.951 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.96 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.564 ' N ' HD21 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -53.46 -39.63 64.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.8 -50.48 56.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -16.98 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.645 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -75.74 -44.41 41.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -85.31 -12.1 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.05 51.69 11.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.469 HG13 ' CG1' ' A' ' 90' ' ' ILE . 9.8 p -95.28 168.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.69 156.83 44.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.63 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.2 14.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.603 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 28.3 m-20 -116.1 -23.67 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.469 ' CG1' HG13 ' A' ' 85' ' ' VAL . 84.6 mt -86.57 122.97 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.483 ' CD1' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -128.03 116.9 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 50.8 t -105.48 121.91 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.68 146.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.584 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 12.8 t-160 -157.19 164.62 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.534 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -96.17 144.42 26.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 135' ' ' ILE . 4.3 t0 -151.76 179.35 8.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 150' ' ' VAL . 1.3 pt? -107.14 105.18 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.436 ' CB ' ' HA3' ' A' ' 136' ' ' GLY . 3.2 t0 -124.17 -68.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.431 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 4.5 mp -119.58 -125.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -80.3 -175.1 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -91.78 64.66 4.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.524 ' CA ' HG22 ' A' ' 165' ' ' ILE . . . 167.08 45.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -135.31 125.63 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.417 HG13 HG13 ' A' ' 165' ' ' ILE . 1.3 pp -98.32 153.91 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 134' ' ' ARG . 3.2 mmt180 -143.97 116.6 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.11 129.33 51.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -135.84 179.25 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.515 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -119.24 -89.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.515 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -125.39 48.0 0.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.97 -68.48 1.6 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.53 100.81 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -41.09 135.35 1.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.68 54.54 3.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 38.05 45.01 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.91 138.67 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.39 -43.9 75.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.32 -48.59 84.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.66 -48.27 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.451 ' O ' HG11 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -59.67 -36.0 75.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.0 t -74.53 -29.31 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 125' ' ' LEU . 2.2 t -71.87 -43.86 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.592 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.96 -41.14 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.421 ' N ' HG11 ' A' ' 122' ' ' VAL . . . -74.01 -35.13 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -77.47 -51.51 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.748 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 22.5 mt -78.54 -21.13 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.592 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 77.59 0.6 73.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.423 ' OG1' ' CG2' ' A' ' 122' ' ' VAL . 0.4 OUTLIER 77.02 120.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 53.6 mmtt -146.67 15.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 9.0 t0 87.66 20.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.748 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 75.2 m-85 -55.4 153.79 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -93.75 155.46 17.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -144.45 149.58 36.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 6.2 t -128.5 89.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 105' ' ' ARG . 9.1 mtp180 -88.75 145.46 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 96' ' ' ASP . 2.3 mp -105.61 142.56 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.03 107.35 3.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.628 ' O ' ' C ' ' A' ' 138' ' ' GLY . 2.3 pt -100.92 154.06 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.628 ' C ' ' O ' ' A' ' 137' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.32 93.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 138' ' ' GLY . 9.7 t80 -78.16 -27.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -67.85 -32.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.482 HD23 ' CE1' ' A' ' 22' ' ' HIS . 60.3 mt -105.02 44.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.709 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -63.21 -101.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 2.9 t-20 136.25 46.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.63 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -68.7 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.599 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -20.62 -51.95 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.533 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.04 -75.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.576 1.83 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.53 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -45.68 -38.12 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.63 ' N ' ' O ' ' A' ' 154' ' ' PHE . 1.0 OUTLIER -75.06 -32.76 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.3 -43.71 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.459 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -77.51 -34.57 54.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.643 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 5.5 tp10 -74.34 -37.36 63.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.575 ' N ' ' O ' ' A' ' 158' ' ' GLU . 0.9 OUTLIER -54.04 -52.6 66.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.643 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -62.78 -54.65 35.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 110.377 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.599 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -77.22 -53.37 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.563 ' O ' ' CB ' ' A' ' 170' ' ' ALA . 57.8 m -42.0 -44.84 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -69.78 -47.08 64.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -63.96 -45.86 87.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -71.31 -35.18 71.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -55.89 -48.97 74.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -68.28 -40.53 81.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.615 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.2 m -64.56 -51.44 62.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.9 pt-20 -56.66 -42.99 79.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' A' ' 178' ' ' GLU . 1.4 tp -69.36 -38.0 77.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.6 tt -52.97 -47.88 67.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.5 mt -81.41 -20.93 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.449 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -57.91 -60.88 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.59 -71.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.48 -177.18 25.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -11.58 35.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -51.43 -47.51 88.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -37.56 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.792 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -44.46 87.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.0 tt0 -68.03 -36.62 80.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 13.5 t30 -82.2 -21.96 36.18 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -102.1 -57.6 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.792 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -65.66 -51.49 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -73.32 8.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -138.24 94.43 2.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.24 18.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -131.87 137.84 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.658 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.14 138.16 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.515 ' CG1' HG13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -126.4 140.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.07 122.35 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.324 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.99 107.6 3.26 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.534 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -94.2 93.4 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 0.703 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -119.2 -149.61 8.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 2.9 m120 -134.29 128.99 19.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.75 -166.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -143.82 -172.41 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.368 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.608 ' CE1' HD13 ' A' ' 151' ' ' LEU . 1.9 t80 -67.6 -22.57 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -43.6 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 20' ' ' THR . 4.4 tpt180 -44.73 -49.75 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.673 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 72.5 p -26.34 -44.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 110.396 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.55 -15.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 1.1 t-160 -53.29 -5.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.9 t-20 -103.64 18.47 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -53.62 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.491 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -31.16 -63.87 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 4.4 t80 -64.95 -36.83 85.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 111.052 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -58.85 -44.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.484 ' CG2' HD11 ' A' ' 93' ' ' ILE . 81.8 t -64.63 -48.97 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.535 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -55.99 -46.37 78.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -45.82 73.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.5 -62.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 5.9 mt -55.76 -33.02 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.633 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . . . -71.34 -26.29 62.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.19 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -92.65 -43.44 9.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.715 HD23 ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -72.27 -34.7 68.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.577 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 91.26 -41.15 2.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.715 ' N ' HD23 ' A' ' 36' ' ' LEU . . . -26.25 137.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -95.81 74.07 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CD1' ' HB2' ' A' ' 51' ' ' ALA . 18.8 m-85 -32.13 148.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -115.94 -175.41 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.77 139.85 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -138.48 151.84 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.54 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.6 mmmt -65.56 -171.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.6 ttt85 34.52 -144.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 72.7 p -68.4 55.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -121.44 -58.1 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.546 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 45.73 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 0.741 . . . . 0.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.2 tp10 -86.98 148.15 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -173.83 163.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.738 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . . . -165.55 147.07 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.065 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.11 127.41 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' O ' ' CD2' ' A' ' 60' ' ' LEU . . . -122.14 109.65 1.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -109.76 115.84 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 0.728 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.89 -157.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.27 32.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 57.37 51.69 56.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER 165.49 155.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.06 164.15 23.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -158.01 127.06 5.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.418 HG12 ' HG ' ' A' ' 6' ' ' LEU . 23.6 t -103.79 110.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.604 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.7 tm? -101.26 125.46 47.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.507 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -140.08 165.56 27.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.629 ' NZ ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -177.23 117.15 0.26 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.67 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.3 Cg_endo -74.91 -157.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.478 ' C ' ' N ' ' A' ' 68' ' ' TYR . 82.1 mmt-85 -80.81 -83.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.42 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -49.98 -17.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.644 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.6 m-85 61.74 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.481 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 30.7 ttm -39.27 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.675 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 7.6 p-10 -62.4 -41.85 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 2.7 tp10 -50.93 -44.63 60.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.063 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.67 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 46.8 t -66.0 -45.71 80.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.053 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -46.52 -52.55 10.83 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.18 -50.31 11.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.1 mm-40 -46.39 -48.14 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.727 ' O ' ' N ' ' A' ' 80' ' ' ALA . 51.8 mt -68.89 -48.1 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.59 -66.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.9 -45.61 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 46' ' ' SER . 22.5 mt -54.36 -41.72 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.727 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.28 -45.21 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -77.69 -16.72 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.6 t80 -76.55 -39.59 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -79.35 -2.37 41.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t 48.98 45.5 22.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG22 ' ND2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -120.79 163.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.36 154.25 59.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.519 ' O ' HG21 ' A' ' 90' ' ' ILE . 18.5 Cg_endo -74.96 -10.08 21.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -11.94 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.658 ' O ' ' N ' ' A' ' 6' ' ' LEU . 15.6 p30 -108.77 -15.27 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.519 HG21 ' O ' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -85.56 128.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.515 HG13 ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -137.71 118.42 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.507 ' CG2' ' HB3' ' A' ' 10' ' ' LEU . 7.7 p -102.57 128.02 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -101.2 148.76 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.472 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 8.1 t-160 -155.19 -179.98 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.527 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 2.3 p30 -105.01 139.58 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.527 ' C ' ' CD1' ' A' ' 137' ' ' ILE . 4.4 t0 -148.23 155.78 41.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.3 OUTLIER -92.67 115.09 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.89 -69.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.495 ' CD2' ' HG3' ' A' ' 100' ' ' GLU . 8.3 tp -131.5 -105.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.495 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 14.2 mt-10 -88.23 179.12 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.662 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.26 75.11 5.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.59 40.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.526 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -132.39 157.33 44.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.523 HG21 ' CD1' ' A' ' 165' ' ' ILE . 0.7 OUTLIER -114.31 163.22 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 13.0 tpt180 -151.05 100.59 2.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.472 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -101.67 129.61 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -147.56 165.37 30.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.516 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.4 tp -119.2 -86.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.516 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -58.06 -48.46 82.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.607 1.192 . . . . 0.0 111.063 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.448 ' HA3' ' NH2' ' A' ' 132' ' ' ARG . . . 40.06 -99.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -166.05 -56.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 2.3 tm-20 90.32 21.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 0.829 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.14 146.4 25.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.36 54.84 18.53 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.478 ' CG ' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -148.98 107.49 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.671 179.917 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 120' ' ' SER . 9.2 m-80 -66.45 -54.07 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 121' ' ' VAL . . . -53.35 -60.98 7.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 115' ' ' HIS . 9.6 mt -51.12 -43.73 61.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 122' ' ' VAL . 7.3 ttt180 -65.93 -33.9 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.42 ' O ' ' HB1' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.513 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 4.0 t -72.87 -41.72 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.46 -43.45 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.38 77.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.182 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.27 -44.03 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.593 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 34.5 mt -76.56 -24.61 53.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 67.95 4.04 32.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.462 1.102 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 14.6 t -123.75 -176.54 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -154.67 48.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.05 -2.37 12.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.524 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 4.4 p90 -77.96 170.89 15.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.436 ' CB ' HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -126.04 168.91 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.456 ' CD ' HD11 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -141.05 150.28 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.7 t -122.99 87.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 7.0 mtp180 -86.01 146.92 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 4.4 mp -103.53 148.16 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 96' ' ' ASP . . . -93.57 98.85 2.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.662 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -106.99 101.6 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.78 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.02 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.308 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -20.79 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.505 HG22 ' CG1' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -83.31 -31.45 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.344 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.608 HD13 ' CE1' ' A' ' 17' ' ' TYR . 1.6 mm? -92.64 42.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 20.5 mt-10 -70.81 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.575 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 15.2 t30 150.91 47.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.618 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -71.02 30.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 110.985 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -20.54 -53.07 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.505 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.612 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -47.31 -39.05 13.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.666 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.0 OUTLIER -74.0 -32.75 63.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.0 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.41 -42.41 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.474 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -77.42 -35.55 54.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.571 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 17.2 mm-40 -76.75 -36.58 57.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.666 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -52.63 -50.76 78.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.0 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.551 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -59.8 -54.13 49.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.571 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -74.62 -53.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.481 ' N ' HD13 ' A' ' 165' ' ' ILE . 51.3 m -43.8 -49.12 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -63.35 -47.19 83.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.584 ' HG3' ' CH2' ' A' ' 191' ' ' TRP . 0.7 OUTLIER -62.01 -42.03 98.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.45 ' CB ' HG22 ' A' ' 104' ' ' ILE . . . -65.64 -43.74 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.06 71.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.07 -44.15 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.556 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -56.88 -44.18 82.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 24.5 m -63.55 -52.58 60.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.57 -45.3 89.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.478 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.96 -38.42 86.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 1.1 tt -54.15 -50.23 67.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.6 mt -74.23 -25.0 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -43.32 99.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.0 -70.61 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -155.39 178.99 31.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.7 ptt? -91.25 -17.85 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -49.99 -45.87 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.08 -37.94 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.397 1.735 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.603 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.2 tt0 -70.3 -40.53 74.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 22.6 t-20 -82.74 -23.43 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -90.26 -54.33 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.592 ' N ' ' O ' ' A' ' 184' ' ' ALA . 21.2 t -81.52 -52.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.88 16.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.565 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -68.29 -37.19 80.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.383 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.584 ' CH2' ' HG3' ' A' ' 168' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 108.029 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.03 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.48 141.84 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -115.38 142.43 46.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.48 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 42.6 t -127.31 147.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.499 HG13 ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.91 127.13 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 25' ' ' GLY . . . -97.22 114.13 4.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.603 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -95.87 96.43 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.727 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.91 -162.24 20.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' A' ' 22' ' ' HIS . 4.4 m120 -130.6 113.17 16.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.5 Cg_endo -74.94 2.99 5.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -44.73 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -179.05 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -45.82 -34.4 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CE2' HD13 ' A' ' 151' ' ' LEU . 2.0 t80 -69.25 -36.93 77.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.6 -38.64 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt180 -43.5 -46.24 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.602 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 59.1 p -32.1 -36.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.602 ' CB ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER 150.33 -9.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -61.22 3.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.628 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.587 ' H ' ' C ' ' A' ' 21' ' ' ARG . 6.6 t30 -113.58 31.69 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.394 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 1.4 mm? -66.93 -60.95 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -36.84 -42.45 0.72 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.697 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 14.3 t80 -84.17 -40.23 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 19.4 t -64.79 -41.21 91.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 42.7 t -76.03 -48.16 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -53.82 -43.91 69.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 17.0 t70 -69.1 -46.47 67.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -51.9 -53.01 45.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.3 mt -55.41 -63.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . . . -60.47 -13.92 16.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.13 -18.59 21.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -102.85 -41.13 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -19.84 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.09 -6.87 78.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' THR . . . -39.28 142.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.74 58.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.623 ' CE2' ' CG2' ' A' ' 50' ' ' VAL . 2.4 t80 -78.23 -106.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -164.7 -167.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.555 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -148.85 159.94 43.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.372 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 25.8 t60 70.07 -95.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 50.47 -179.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -49.68 -41.05 42.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 p -47.33 -52.71 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.954 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.19 49.2 1.92 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 176.32 171.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.4 tp10 -78.98 148.26 32.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.244 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.623 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -152.48 134.91 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . . . -145.16 106.98 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -72.9 151.09 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.455 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -143.92 120.81 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -109.52 111.62 23.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 58' ' ' ARG . 3.2 t -177.47 -161.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 40.19 31.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 57.76 47.02 91.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER 172.84 152.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -81.14 164.35 22.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.8 OUTLIER -155.09 120.93 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.483 ' CG1' HD11 ' A' ' 6' ' ' LEU . 44.8 t -101.13 108.09 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.48 ' CD2' ' HB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -93.98 109.88 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' CB ' HG13 ' A' ' 50' ' ' VAL . . . -122.92 165.8 16.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.81 117.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -156.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.48 ' C ' ' N ' ' A' ' 68' ' ' TYR . 27.8 mmt180 -83.64 -86.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.34 -18.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 108.343 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.697 ' OH ' ' CD1' ' A' ' 26' ' ' PHE . 17.0 m-85 62.19 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.465 ' HE1' ' CB ' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -39.96 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -63.15 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.413 1.071 . . . . 0.0 109.203 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.593 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -58.21 -47.77 82.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.1 t -65.55 -47.34 76.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -46.52 -52.22 11.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 1.09 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -81.85 -35.81 28.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.611 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 3.1 mm-40 -62.03 -46.19 90.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 80' ' ' ALA . 1.5 mp -71.06 -50.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.87 -63.36 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 1.09 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.99 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.85 -40.85 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.24 -47.4 70.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -16.26 59.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.6 t80 -75.88 -44.24 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.506 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 12.9 m-85 -81.69 -10.16 59.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.7 t 55.12 49.96 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.506 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 23.2 t -101.12 172.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.44 153.83 68.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.94 -32.72 5.25 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.69 2.9 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' LEU . 84.5 m-20 -104.46 -21.71 13.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 80' ' ' ALA . 11.6 mt -87.48 133.68 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -137.62 119.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 133' ' ' VAL . 48.2 t -104.53 130.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.224 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -108.89 147.49 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.603 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.8 t-160 -152.9 171.85 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.517 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 18.7 t70 -108.54 143.62 37.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.73 153.4 22.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.456 ' HA ' ' C ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -85.69 115.37 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.256 -179.898 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -108.31 -79.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -134.43 -71.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -89.02 163.05 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -96.23 39.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.483 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -170.4 46.1 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.676 ' NE ' ' CD1' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -134.13 171.58 14.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.3 pp -124.48 165.61 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.82 95.68 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -101.3 147.8 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.52 ' N ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -155.77 163.21 40.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -97.33 -54.68 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -153.77 67.67 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.88 -69.54 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 113' ' ' GLY . . . 165.29 96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.462 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 0.4 OUTLIER -41.24 -27.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 111' ' ' GLY . . . 43.21 -108.09 0.15 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.584 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -93.12 81.47 1.07 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 41.4 m80 -160.89 101.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.465 ' CB ' ' HE1' ' A' ' 69' ' ' MET . 6.8 m-20 -63.12 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.412 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -58.53 -65.74 3.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.408 ' HG ' ' HB3' ' A' ' 115' ' ' HIS . 9.1 mt -51.78 -45.4 63.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -35.75 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 -31.41 69.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.35 -44.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 126' ' ' GLY . 33.7 t -71.42 -26.66 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.81 64.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -84.04 -45.09 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.65 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 22.9 mt -78.56 -21.89 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.08 8.39 78.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.583 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.6 OUTLIER 83.85 164.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.34 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.674 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 14.5 mmtt 155.83 -3.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.674 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 10.5 t0 138.69 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.65 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 31.0 m-85 58.39 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -111.74 158.46 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.29 147.7 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 11.1 t -134.41 81.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.7 146.62 26.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 94' ' ' HIS . 2.5 mp -95.77 146.17 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.1 101.91 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.548 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 1.6 pp -118.72 79.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.0 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -28.39 62.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.482 ' CG2' HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -67.46 -41.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 17' ' ' TYR . 84.2 mt -89.53 49.24 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -79.38 -112.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.581 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.9 t30 159.64 47.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.627 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -70.05 27.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.584 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -22.41 -52.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.502 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.91 -71.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.627 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.26 -42.71 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.7 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.7 mt-10 -74.3 -28.92 61.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.997 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.72 -45.32 89.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.938 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.464 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -77.89 -34.27 51.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.59 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 11.6 tp10 -76.12 -37.18 58.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.7 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.5 -50.38 83.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.997 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -28.86 8.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.414 1.744 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.562 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -63.47 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.59 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.83 -54.02 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.49 ' N ' HD11 ' A' ' 165' ' ' ILE . 56.6 m -45.91 -46.33 15.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.3 tt0 -59.58 -44.71 93.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -67.91 -40.25 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -71.87 -41.92 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.03 -43.03 81.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -42.84 83.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.542 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.75 -40.84 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.2 m -63.69 -53.73 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.453 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -62.73 -39.28 93.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -44.15 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 4.2 tt -52.89 -43.94 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.6 mt -79.39 -23.61 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -62.01 -43.62 98.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -143.5 -72.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.239 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.474 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -155.25 177.88 32.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 17.8 ttt -89.58 -10.73 44.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.0 mp0 -49.25 -47.42 76.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.99 -38.14 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.715 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -40.68 93.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.646 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.7 tt0 -70.21 -37.64 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 54.5 t30 -82.87 -21.54 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.82 -56.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.715 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -72.21 -54.75 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -67.11 0.26 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -138.87 94.65 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.676 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.465 ' O ' ' NE ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.75 137.83 48.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -118.2 138.94 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.475 HG22 ' CD1' ' A' ' 91' ' ' ILE . 19.6 t -129.83 144.42 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.36 120.28 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.64 107.22 3.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.631 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -94.04 106.01 18.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.52 -143.73 5.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . 2.4 m-80 -135.07 128.97 18.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -173.77 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.386 1.73 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -34.1 115.54 0.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 167.71 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.43 -11.99 19.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.659 ' CE1' ' CD1' ' A' ' 151' ' ' LEU . 0.6 OUTLIER -70.24 -18.18 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.33 -30.85 65.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 21' ' ' ARG . 20.1 mmt180 -37.99 -41.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.549 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -75.9 38.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.584 ' C ' ' H ' ' A' ' 23' ' ' ASN . 5.8 mmp_? 54.09 22.37 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -65.91 8.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.649 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.584 ' H ' ' C ' ' A' ' 21' ' ' ARG . 5.2 t-20 -131.55 44.72 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -63.42 -51.28 66.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.472 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -48.91 -44.61 31.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 7.4 t80 -84.06 -29.27 26.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 0.806 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 4.8 t -71.69 -36.49 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 7.8 p -80.53 -51.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.51 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -56.94 -33.99 67.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 23.2 t70 -72.85 -53.41 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.1 OUTLIER -53.43 -51.78 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mt -55.14 -57.74 10.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.49 ' CB ' ' HB1' ' A' ' 38' ' ' ALA . . . -60.86 -18.03 53.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.0 -27.28 30.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -98.95 -42.81 6.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.43 -21.71 63.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.24 -7.4 81.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' HB1' ' CB ' ' A' ' 33' ' ' ALA . . . -32.92 147.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 0.791 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.86 76.46 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.705 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.55 -166.74 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.83 -163.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -112.27 141.74 45.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.063 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' GLY . 14.9 t60 -110.22 110.19 20.94 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -51.13 27.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -40.36 -54.23 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.6 p -83.03 -46.4 12.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' HIS . . . 98.02 66.03 0.89 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 172.61 173.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.8 mm-40 -84.72 147.85 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -144.0 124.76 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.705 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -115.29 111.17 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.44 124.66 32.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.43 131.6 5.59 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -141.18 98.09 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 110.243 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -164.43 -158.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.77 42.45 98.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.465 ' NE ' ' O ' ' A' ' 3' ' ' GLU . 1.6 mmt-85 178.93 155.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.03 177.95 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pp -175.16 107.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.407 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 4.1 t -107.69 101.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -96.57 111.22 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -122.26 168.99 11.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HE3' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -178.34 118.62 0.24 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.635 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -158.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.582 1.833 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 40.7 mmt-85 -84.26 -83.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -46.39 -19.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 9.3 m-85 61.01 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' CYS . 34.4 ttp -33.28 -90.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -69.6 -33.4 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -58.8 -32.87 69.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.214 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -80.14 -51.68 8.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.519 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -47.87 -49.45 22.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.407 1.067 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.98 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.8 -44.08 42.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.793 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.56 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.5 tm0? -47.9 -50.08 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 7.4 mt -68.0 -45.31 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -67.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.98 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.11 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.46 -40.16 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.757 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.24 -49.64 59.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -16.5 61.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.701 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -76.96 -43.59 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.402 ' CD1' ' HD1' ' A' ' 82' ' ' PHE . 12.2 m-85 -88.68 -13.46 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.7 t 53.57 48.73 21.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.503 ' CG2' ' ND2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -95.59 162.47 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -82.05 150.11 64.24 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.01 -4.53 15.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.53 -1.47 53.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.621 ' O ' ' N ' ' A' ' 6' ' ' LEU . 27.4 p30 -116.65 -16.89 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -86.74 124.85 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 114.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 133' ' ' VAL . 9.9 p -102.87 123.77 56.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.564 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.4 OUTLIER -106.48 141.14 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.631 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 11.1 t-160 -161.16 168.79 23.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.554 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.585 ' O ' ' CE1' ' A' ' 115' ' ' HIS . 1.0 OUTLIER -101.99 143.57 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 115' ' ' HIS . 8.8 t0 -137.55 152.82 49.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 150' ' ' VAL . 3.3 mp -83.97 85.03 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -132.54 -43.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.645 ' C ' ' H ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -135.76 90.39 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.811 ' N ' ' H ' ' A' ' 138' ' ' GLY . 16.8 tt0 -67.01 33.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.645 ' H ' ' C ' ' A' ' 99' ' ' LEU . 5.5 m-85 -104.11 -54.94 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.2 50.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.538 ' CD ' ' O ' ' A' ' 104' ' ' ILE . 1.3 tmm_? -115.07 161.1 18.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.743 . . . . 0.0 110.298 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.581 ' CG2' ' CG1' ' A' ' 165' ' ' ILE . 1.0 OUTLIER -109.01 149.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.7 ttp85 -138.88 104.93 5.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -103.23 141.14 36.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 106' ' ' LEU . 0.3 OUTLIER -166.82 -168.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 1.1 tp -115.69 -131.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -95.45 63.99 1.35 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.74 25.02 1.8 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.49 -92.85 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 43.94 58.67 3.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 0.777 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.06 -95.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.89 64.89 0.59 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' ASP . 20.0 m170 -114.79 119.0 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -28.16 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -67.93 -57.37 8.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.44 -48.65 76.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.366 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -36.63 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -70.91 -30.34 66.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.519 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.5 t -68.42 -44.99 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.543 HG11 ' CB ' ' A' ' 127' ' ' THR . 12.2 t -72.94 -27.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -87.84 -42.57 12.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.725 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 46.6 mt -79.34 -23.4 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.49 5.72 78.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.543 ' CB ' HG11 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 82.74 117.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.796 . . . . 0.0 110.418 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.66 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 15.0 tptt -137.36 6.08 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 14.0 t0 89.74 19.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.227 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.725 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 67.1 m-85 -54.1 155.39 3.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -96.57 155.34 16.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.403 ' O ' HD13 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -144.21 146.11 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.4 t -123.58 86.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -88.09 143.28 27.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.496 ' HB ' ' OD1' ' A' ' 95' ' ' ASP . 3.6 mp -104.18 150.62 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . -93.57 115.25 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.536 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 2.0 pp -154.62 77.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 0.824 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.811 ' H ' ' N ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.02 90.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.443 ' O ' ' CD ' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -75.83 -29.99 58.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.479 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -64.82 -36.18 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.336 179.902 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.659 ' CD1' ' CE1' ' A' ' 17' ' ' TYR . 2.6 mp -101.91 41.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 151' ' ' LEU . 2.0 mp0 -29.12 -51.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.536 ' C ' ' H ' ' A' ' 155' ' ' THR . 23.7 t30 67.57 30.55 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.601 ' O ' ' C ' ' A' ' 155' ' ' THR . 0.7 OUTLIER -72.44 21.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.3 -52.51 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.06 -72.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 161' ' ' GLU . . . -46.36 -41.41 13.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.758 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.6 OUTLIER -75.53 -28.69 59.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -56.9 -45.41 82.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -80.19 -33.23 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.618 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.0 mm-40 -77.23 -34.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.758 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -57.11 -50.5 87.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -28.0 9.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.618 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.8 OUTLIER -58.31 -56.55 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.35 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.581 ' CG1' ' CG2' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -77.11 -47.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.533 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 30.3 m -46.4 -44.88 17.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.574 1.171 . . . . 0.0 108.367 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.2 tt0 -69.54 -44.52 70.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.12 -46.85 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.65 86.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.95 -42.09 75.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.2 t0 -66.33 -41.88 88.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.606 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -57.72 -40.54 79.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.6 m -63.88 -54.24 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.394 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.618 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -61.04 -34.28 74.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.618 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -73.28 -46.02 52.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.427 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 3.9 tt -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.371 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 15.9 mt -82.23 -26.3 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.3 -45.0 88.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -147.8 -71.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -150.73 177.92 28.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -92.82 -5.7 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -52.34 -45.53 94.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.97 -37.24 2.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.58 -38.97 88.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.626 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.0 tt0 -70.78 -37.8 73.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 50.3 t30 -83.63 -21.33 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.12 -57.0 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.704 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.5 OUTLIER -70.05 -58.13 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.626 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -61.84 -10.6 9.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.642 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -129.11 90.47 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.044 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.456 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.99 148.5 35.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.513 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.57 136.21 51.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.662 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -103.81 143.91 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 62' ' ' LEU . 21.2 t -120.93 142.18 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -137.41 117.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.01 111.51 3.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.536 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.15 95.07 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.406 ' H ' ' HB3' ' A' ' 68' ' ' TYR . . . -113.02 -147.88 10.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' HIS . 2.8 m120 -136.92 118.73 11.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.0 130.51 13.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.801 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . 46.25 -170.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.415 1.072 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 82.34 139.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.06 -8.03 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' CE2' ' CB ' ' A' ' 151' ' ' LEU . 0.2 OUTLIER -87.39 -16.76 34.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.28 -37.66 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -60.52 -52.64 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.653 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 13.7 t -30.32 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.692 ' NH1' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER 145.36 -3.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.7 t-160 -65.43 8.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' ARG . 20.7 t-20 -118.39 21.78 12.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -49.74 -45.54 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.65 -60.66 4.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 21.2 t80 -77.55 -24.3 49.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 0.789 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.542 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 2.0 t -69.07 -42.03 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 t -74.6 -51.02 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.495 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -56.99 -34.51 68.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ALA . 5.5 m-20 -67.82 -53.06 29.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.69 -56.12 13.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.15 -32.4 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.686 ' CB ' ' CE1' ' A' ' 40' ' ' PHE . . . -75.25 -24.51 57.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.34 -27.57 34.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -42.94 14.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.24 -43.66 64.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.07 -8.42 79.85 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.16 146.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.33 82.1 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.766 ' CD2' ' HB1' ' A' ' 51' ' ' ALA . 59.6 m-85 -61.45 -178.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -154.12 -167.96 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -174.01 140.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.504 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -133.18 -175.43 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.567 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 -175.77 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER 48.89 -105.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 45' ' ' ARG . 74.4 m -106.79 45.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -114.12 -65.28 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 42' ' ' ALA . . . 50.19 -177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.509 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 2.7 tp10 -81.37 148.31 29.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.6 p 177.85 166.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.766 ' HB1' ' CD2' ' A' ' 40' ' ' PHE . . . -169.65 146.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.79 127.44 32.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -121.46 108.02 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.11 122.99 48.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 172.12 -163.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.07 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.39 42.05 99.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 178.63 153.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 1.7 m -80.59 164.45 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -161.56 117.88 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.491 ' CG1' HD13 ' A' ' 6' ' ' LEU . 79.2 t -100.33 103.83 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.9 tm? -91.7 114.96 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.517 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -126.48 174.14 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 175.62 117.63 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.318 -179.915 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.64 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -75.01 -154.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.507 ' C ' ' N ' ' A' ' 68' ' ' TYR . 77.6 mmt-85 -80.73 -84.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -49.6 -16.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 108.321 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.67 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 68' ' ' TYR . 14.7 ttm -38.56 -94.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.685 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 8.3 t30 -59.36 -41.55 89.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 1.1 tp10 -50.66 -45.91 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.64 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 47.6 t -64.21 -47.32 80.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -45.61 -53.81 8.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.28 -49.32 13.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 110.351 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.588 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 12.7 mm-40 -47.6 -48.77 28.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.737 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.0 mm -67.2 -46.35 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.99 -69.3 0.1 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.93 -47.89 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -51.71 -40.8 60.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.737 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.27 -50.84 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -16.76 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.712 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -75.31 -41.22 57.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -79.36 6.19 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t 53.01 46.73 26.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.046 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.1 t -129.95 151.07 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.36 155.39 69.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.42 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.48 -10.44 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 32.7 m-20 -110.49 -1.96 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.3 mt -95.69 136.1 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.534 ' CG2' ' CD ' ' A' ' 131' ' ' GLN . 0.8 OUTLIER -130.77 118.02 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.457 HG11 ' CG ' ' A' ' 132' ' ' ARG . 9.9 p -99.46 121.82 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.547 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -101.48 146.33 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.523 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 8.6 t-160 -161.17 -179.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.462 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.5 p30 -112.61 139.68 48.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' HG13 ' A' ' 137' ' ' ILE . 13.6 t0 -144.79 150.09 36.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.61 103.39 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.7 -80.53 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.93 -76.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -86.94 165.08 16.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.692 ' CE1' ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.92 37.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.51 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -166.0 51.24 0.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.661 ' NE ' ' CD1' ' A' ' 191' ' ' TRP . 0.1 OUTLIER -135.88 173.2 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 110.363 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 169' ' ' ALA . 0.8 OUTLIER -123.44 159.06 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 134' ' ' ARG . 6.7 ttt180 -149.51 91.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.52 138.81 40.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.927 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -144.73 -179.65 6.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.2 tp -99.31 -95.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -133.67 58.27 0.69 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.502 1.127 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -143.24 56.15 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -161.12 -102.58 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER 63.34 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 34.58 80.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 115' ' ' HIS . . . 82.22 -123.67 6.17 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 114' ' ' GLY . 23.1 m80 51.23 101.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.99 -31.29 62.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -69.67 -71.0 1.05 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 mt -49.35 -42.37 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.484 ' O ' HG12 ' A' ' 122' ' ' VAL . 5.7 ttt180 -63.17 -48.09 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.0 t -57.62 -30.32 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.955 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.569 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 3.1 t -75.85 -39.78 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.591 HG21 ' CZ ' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -59.39 -45.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.422 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -75.26 -38.74 60.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.689 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.37 -50.46 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 121' ' ' VAL . 17.7 mt -82.59 -21.62 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.77 9.63 79.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.675 ' OG1' ' CE2' ' A' ' 130' ' ' PHE . 0.7 OUTLIER 62.87 136.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 110.378 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 2.0 tmtt? -164.65 27.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.625 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 16.5 t0 93.78 22.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.675 ' CE2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -54.86 170.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.37 1.044 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.534 ' CD ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.89 161.75 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.647 ' NH2' ' CE1' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -142.65 154.61 44.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 9.2 t -130.24 84.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mpp_? -83.72 161.86 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -112.87 148.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.21 102.15 2.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 96' ' ' ASP . 2.1 pp -126.32 75.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.979 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.63 94.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.45 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 2.0 t80 -76.92 -21.18 55.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.467 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -74.35 -34.29 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.57 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 1.1 mp -110.33 45.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.553 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 1.1 mm-40 -68.42 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.582 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -177.23 45.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.7 OUTLIER -70.71 26.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.582 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.9 OUTLIER -30.11 -49.6 0.33 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.373 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.3 Cg_endo -74.98 -62.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.509 ' HB1' ' CG ' ' A' ' 154' ' ' PHE . . . -51.09 -46.47 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.711 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.09 -28.43 63.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -58.11 -46.04 86.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.534 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -77.4 -34.36 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 1.8 tt0 -76.1 -37.11 58.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -53.08 -50.43 82.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.0 -28.79 8.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.534 ' HB ' ' O ' ' A' ' 160' ' ' ALA . 0.4 OUTLIER -61.92 -58.88 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.542 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -69.26 -53.41 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 55.7 m -44.22 -45.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -66.79 -43.55 83.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.496 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.22 -46.56 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -67.75 -42.01 82.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.619 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -60.68 -39.54 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -63.65 -53.12 56.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.1 pt-20 -60.57 -41.87 95.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.3 tp -69.8 -41.3 75.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 2.7 tt -51.97 -48.42 64.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.22 -24.92 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.88 -48.58 77.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.41 -72.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.301 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -159.31 -169.89 23.2 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -90.65 -11.61 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -54.32 -44.88 99.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.02 -37.41 2.03 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.4 1.737 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.784 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.38 -44.85 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.602 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.5 tt0 -68.49 -35.9 78.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 24.4 t-20 -81.75 -22.1 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.29 -58.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.784 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -62.94 -49.87 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.602 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.1 OUTLIER -75.01 9.05 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -137.64 89.1 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.661 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.44 139.84 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -123.11 139.57 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 12.1 t -132.9 142.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -131.76 116.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.43 107.29 3.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.634 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -92.99 108.58 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.766 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.582 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -139.43 5.22 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.537 ' N ' ' HA ' ' A' ' 23' ' ' ASN . 2.1 t-20 -135.56 126.63 17.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.99 -39.04 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -68.01 -130.53 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . . . -164.75 -48.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 0.705 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -43.64 -45.69 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.475 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.4 OUTLIER -90.5 -18.63 24.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . . . -71.27 -25.0 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -52.13 -40.45 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 4.4 t -76.81 25.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.569 ' C ' ' H ' ' A' ' 23' ' ' ASN . 8.8 mmt180 65.9 21.91 11.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' GLY . 8.8 t-160 -68.63 11.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.582 ' HA ' ' CA ' ' A' ' 11' ' ' GLY . 64.6 t30 -125.31 26.75 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.518 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.1 OUTLIER -54.05 -46.53 71.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -47.91 -59.17 6.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.5 t80 -75.05 -25.76 58.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 2.8 t -70.36 -38.96 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -79.07 -51.49 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -55.66 -32.55 63.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 3.3 m-20 -76.31 -56.8 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -46.04 -47.97 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.05 -47.74 76.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.177 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.48 ' CA ' ' HB1' ' A' ' 38' ' ' ALA . . . -60.38 -44.96 95.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.99 78.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -72.84 -49.82 27.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -83.81 19.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 67.96 -56.86 0.39 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB1' ' CA ' ' A' ' 33' ' ' ALA . . . 68.79 145.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.17 82.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.74 ' CD2' ' CB ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -138.45 -155.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.414 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -154.28 -165.53 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.78 126.06 47.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -59.86 110.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.634 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -41.2 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -46.19 89.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.463 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -73.93 -46.71 42.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.41 60.36 0.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.172 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.56 166.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 25.8 tp10 -71.9 150.68 43.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.437 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 21.6 m -146.04 114.38 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.74 ' CB ' ' CD2' ' A' ' 40' ' ' PHE . . . -118.13 107.99 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.442 HG23 ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.34 126.4 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.79 -161.08 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.8 131.71 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.6 OUTLIER -179.3 -166.38 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 36.4 33.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ARG . . . 59.5 54.97 33.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' GLY . 1.4 mmt-85 160.01 158.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.06 170.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 pp -151.36 122.75 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.449 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 24.9 t -105.95 99.13 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 1.0 OUTLIER -101.51 101.94 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.517 ' C ' ' CE ' ' A' ' 64' ' ' LYS . . . -119.96 176.23 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.517 ' CE ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 179.27 123.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.7 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 -160.24 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 53.1 mmt-85 -77.07 -83.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -47.47 -18.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 108.33 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.7 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 19.9 m-85 59.53 -82.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' HD11 ' A' ' 10' ' ' LEU . 1.3 ttm -37.29 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.646 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 47.9 m-20 -70.66 -45.26 65.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.4 OUTLIER -50.46 -37.81 40.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.685 ' N ' ' O ' ' A' ' 68' ' ' TYR . 92.6 p -70.47 -54.21 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.684 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.9 -51.43 4.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.925 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.31 -53.62 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.454 ' NE2' ' HB3' ' A' ' 48' ' ' ALA . 14.7 tp60 -42.19 -49.45 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.7 ' O ' ' N ' ' A' ' 80' ' ' ALA . 20.1 mt -66.99 -46.49 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.04 -67.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.925 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -46.5 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.02 -40.76 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.7 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.86 -49.68 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -17.03 61.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.711 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.1 t80 -75.45 -44.62 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -81.82 -12.44 58.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.0 t 55.08 47.52 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.469 ' CG2' ' OD1' ' A' ' 89' ' ' ASN . 4.5 p -107.48 158.36 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.547 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -80.2 156.51 74.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.658 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.03 -8.89 20.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.27 -16.12 62.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.791 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -108.76 0.17 20.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.6 mm -97.89 123.02 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.439 ' CG2' ' NE2' ' A' ' 131' ' ' GLN . 0.5 OUTLIER -137.43 118.13 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 132' ' ' ARG . 7.8 p -107.57 124.7 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -102.07 144.43 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 109.234 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.634 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 11.2 t-160 -156.5 -178.39 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.555 ' OD2' ' CD2' ' A' ' 97' ' ' LEU . 5.0 p-10 -109.14 141.24 41.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.4 t0 -107.62 95.41 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' CD2' ' OD2' ' A' ' 95' ' ' ASP . 0.6 OUTLIER -79.08 5.02 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -37.6 45.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.425 ' CB ' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -137.03 92.61 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.674 ' HA ' ' CA ' ' A' ' 137' ' ' ILE . 2.3 tm-20 -81.41 84.53 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 101' ' ' PHE . 1.8 m-85 -107.06 -12.62 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 136' ' ' GLY . . . 79.22 32.29 39.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.526 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.2 tpp180 -124.15 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 0.813 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.484 ' CG2' HD12 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -109.1 160.61 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.36 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -150.0 109.26 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.451 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -121.54 130.26 53.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -149.4 178.04 9.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.546 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -111.32 -55.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.546 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -79.0 -72.31 1.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.24 -93.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . 135.62 60.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 64.43 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 0.774 . . . . 0.0 110.258 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 92.19 50.23 2.66 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 52.19 71.04 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.427 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 25.5 m-70 -155.17 109.22 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.72 -28.56 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -67.04 -56.15 13.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.642 ' O ' HG12 ' A' ' 121' ' ' VAL . 3.5 mt -56.81 -52.43 65.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.6 ttt-85 -59.02 -32.14 69.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 14.8 t -73.47 -27.78 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.684 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.7 -43.15 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.489 ' N ' HG12 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -65.77 -47.23 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -66.82 -37.96 85.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . -75.7 -27.84 58.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.628 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 15.6 mt -85.01 -23.63 28.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.12 3.0 55.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.408 ' O ' ' HB3' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -119.59 -157.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.372 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -177.16 62.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -143.5 14.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.658 ' CD2' ' HB3' ' A' ' 87' ' ' PRO . 39.0 m-85 -86.69 152.15 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.502 ' CA ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.08 162.81 12.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -143.43 150.12 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 24.4 t -123.44 85.6 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -90.99 144.21 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 3.6 mp -104.59 147.53 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -89.0 97.34 2.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.674 ' CA ' ' HA ' ' A' ' 100' ' ' GLU . 1.8 pp -147.07 -164.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.08 -40.49 85.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.492 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 1.3 m-85 -78.63 -24.37 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.423 ' CG1' ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -66.14 -43.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.43 ' CD2' HG23 ' A' ' 20' ' ' THR . 1.9 mt -112.12 36.98 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -53.93 -89.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.631 ' C ' ' H ' ' A' ' 155' ' ' THR . 15.2 t30 154.03 49.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.681 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -67.56 26.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.631 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -33.57 -47.14 0.64 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.2 Cg_endo -74.99 -62.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -50.54 -47.52 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.8 mt-10 -70.84 -29.08 65.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.021 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.84 -45.58 86.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.215 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.588 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -75.17 -36.35 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 3.7 mm-40 -75.49 -36.84 60.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.721 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -51.1 -53.04 52.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.021 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -26.65 10.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 160' ' ' ALA . 0.4 OUTLIER -62.59 -58.31 8.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.563 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.41 -54.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.579 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 68.8 m -42.8 -44.73 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.239 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -66.52 -45.57 79.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -65.85 -45.02 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 104' ' ' ILE . . . -71.28 -38.4 71.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -55.09 -47.26 75.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -67.57 -41.96 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.622 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -63.92 -52.18 61.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.7 OUTLIER -58.11 -47.8 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -62.78 -36.23 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.562 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 3.5 tt -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 65.2 mt -65.05 -30.96 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.389 1.056 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -66.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 110.246 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.63 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.87 -174.9 28.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 19.7 ptp -90.61 -9.94 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 7.7 mm-40 -53.37 -43.74 96.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.01 -36.83 2.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.745 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.66 -45.4 90.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.5 tt0 -68.54 -36.31 78.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.98 -22.95 36.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.6 ttt180 -100.44 -58.72 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.745 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -64.86 -48.81 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -79.5 17.67 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.66 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -103.41 -42.37 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.59 ' CD1' ' C ' ' A' ' 191' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.509 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.01 140.63 25.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -106.49 136.67 45.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -104.58 143.51 32.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.503 HG12 ' CD1' ' A' ' 91' ' ' ILE . 2.8 m -132.61 141.32 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.494 HG21 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -129.92 123.0 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -98.64 113.17 4.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.631 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -94.48 103.04 15.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.241 -179.899 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.27 -149.47 10.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 22' ' ' HIS . 12.1 t-20 -137.45 117.8 10.5 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -1.66 11.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.51 -138.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.48 -86.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 0.703 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -51.49 -21.88 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.526 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.1 OUTLIER -99.45 -23.37 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.64 -25.34 62.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.442 ' HB3' ' ND2' ' A' ' 153' ' ' ASN . 1.5 tpt180 -68.46 -25.01 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 6.3 t -72.28 7.22 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.578 ' CD ' ' CG2' ' A' ' 162' ' ' VAL . 0.0 OUTLIER 85.39 11.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -69.55 11.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.568 ' O ' ' N ' ' A' ' 27' ' ' VAL . 5.7 t-20 -124.85 18.73 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 95' ' ' ASP . 1.2 tp -40.0 -46.72 2.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.16 -59.55 8.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -75.32 -20.19 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.9 t -76.11 -39.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.186 . . . . 0.0 109.251 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG12 ' CD1' ' A' ' 93' ' ' ILE . 4.2 p -80.16 -37.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.486 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -69.18 -35.15 75.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 11.9 t0 -74.32 -44.56 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -56.73 -51.27 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.17 61.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -78.13 -29.63 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -96.67 -44.46 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -32.97 72.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.55 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 89.25 -3.35 84.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . -42.34 172.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 69.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.177 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.729 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -62.13 -169.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -125.62 176.6 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 43' ' ' HIS . . . -130.34 140.99 50.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' ALA . 49.2 t60 71.66 -75.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.77 -77.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -149.51 -66.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.504 ' CB ' HD12 ' A' ' 79' ' ' LEU . 13.9 t -50.23 -26.64 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.59 56.64 1.02 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -167.87 176.0 6.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.693 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.3 mm-40 -89.81 149.36 22.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.477 HG13 ' CB ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -146.41 115.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.729 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -106.9 106.6 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.76 122.55 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.73 -162.24 10.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.1 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 1.5 mtt180 -154.02 113.65 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 5.3 m -143.41 -178.41 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.946 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.401 ' CB ' ' HB ' ' A' ' 177' ' ' ILE . . . 44.21 25.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.2 50.59 38.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.13 156.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.737 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.501 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.5 m -69.22 163.81 24.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.93 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.6 pp -154.68 121.77 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.491 ' CG1' HD12 ' A' ' 6' ' ' LEU . 77.7 t -109.23 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.486 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -92.46 109.21 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' CB ' HG13 ' A' ' 50' ' ' VAL . . . -120.4 171.09 8.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.01 120.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.636 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.04 -156.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 22.2 mmt85 -83.4 -86.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -45.79 -20.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.75 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.8 m-85 62.92 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.484 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 57.4 ttp -35.76 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -59.2 -42.11 90.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.212 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.75 ' N ' ' O ' ' A' ' 68' ' ' TYR . 36.3 t -69.67 -52.41 26.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.597 1.186 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.681 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -47.81 -52.97 14.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.36 -45.47 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 6.7 tp60 -45.02 -49.22 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.726 ' O ' ' N ' ' A' ' 80' ' ' ALA . 15.8 mm -68.63 -47.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.85 -68.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -74.93 -46.73 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.504 HD12 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.37 -40.46 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.64 -49.39 59.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -16.87 59.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.793 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -77.64 -43.17 32.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.461 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 12.1 m-85 -84.95 -16.71 40.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t 51.27 45.78 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 86' ' ' ALA . 84.7 t -101.11 173.51 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.505 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -73.04 123.96 90.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.595 ' CG ' ' HB3' ' A' ' 128' ' ' LYS . 18.3 Cg_endo -75.04 -13.03 21.44 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.27 0.87 15.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.63 ' O ' ' N ' ' A' ' 6' ' ' LEU . 7.2 m-20 -113.28 -11.74 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 13.8 mt -90.71 133.53 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CD1' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -137.28 142.88 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.494 ' CG2' HG21 ' A' ' 8' ' ' VAL . 23.1 t -119.44 127.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.597 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -110.7 142.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.631 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 10.3 t-160 -158.05 176.95 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.546 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -100.37 142.11 32.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 135' ' ' ILE . 8.7 t0 -148.2 150.7 34.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.88 115.01 22.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.37 -84.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.45 -70.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.4 tm-20 -86.03 164.49 17.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -94.82 22.48 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.426 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -155.08 54.62 0.42 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.537 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 5.0 tmm_? -134.61 156.33 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.532 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.3 pp -122.3 156.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 134' ' ' ARG . 16.1 ttt180 -146.17 113.15 6.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.1 132.9 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.45 -179.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -112.73 -83.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.48 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -94.05 -81.22 1.51 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.4 140.49 0.25 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.14 -162.06 23.57 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 62.68 81.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.47 -81.61 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.12 67.86 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.37 129.35 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.567 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -37.6 74.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.99 -64.53 3.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.01 -45.18 67.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.445 ' O ' HG11 ' A' ' 122' ' ' VAL . 6.1 ttt180 -64.74 -34.8 79.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.2 t -64.82 -36.64 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.643 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 5.8 t -74.51 -39.48 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.617 HG21 ' CZ ' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -63.35 -47.42 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.21 -41.66 73.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.681 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -63.69 -46.12 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 130' ' ' PHE . 13.3 mt -79.4 -21.91 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 127' ' ' THR . . . 71.13 12.87 72.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.694 ' HA ' ' CZ ' ' A' ' 130' ' ' PHE . 0.6 OUTLIER 89.13 120.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.398 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.595 ' HB3' ' CG ' ' A' ' 87' ' ' PRO . 23.1 mmtt -152.88 19.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.541 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 1.1 m-20 63.02 23.46 14.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 1.202 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CZ ' ' HA ' ' A' ' 127' ' ' THR . 0.1 OUTLIER -48.36 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -116.26 155.87 27.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.38 147.94 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 18.8 t -140.24 83.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -91.13 144.2 25.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.537 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 2.7 mp -94.29 148.91 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -99.47 91.53 1.06 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 96' ' ' ASP . 1.8 pp -110.76 77.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.128 . . . . 0.0 111.006 179.959 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.547 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 1.5 t80 -75.79 -35.13 60.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.22 -33.73 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.452 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 28.4 mt -91.0 30.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.717 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.3 mm-40 -52.92 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.717 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.8 t-20 134.91 46.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.4 OUTLIER -69.99 33.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.626 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -16.28 -52.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.488 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.628 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -75.07 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.618 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -44.85 -36.68 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.7 mt-10 -77.88 -31.51 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -57.86 -44.0 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.455 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -80.48 -33.63 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.607 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 2.9 tp10 -75.62 -34.87 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.224 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -58.1 -51.94 78.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -74.97 -24.63 12.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.607 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -59.89 -57.77 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.518 ' CG1' ' CG2' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -76.86 -45.05 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 31.6 m -48.8 -45.44 40.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.262 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -69.38 -44.95 70.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.619 ' CD ' ' CH2' ' A' ' 191' ' ' TRP . 0.2 OUTLIER -61.88 -41.81 98.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.22 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.63 -42.15 78.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.25 -41.77 72.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -44.89 76.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.513 ' HB1' ' CG2' ' A' ' 188' ' ' VAL . . . -57.75 -42.95 85.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.5 m -64.6 -52.25 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.48 -46.38 83.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.486 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 4.4 tt -54.27 -49.86 68.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.401 ' HB ' ' CB ' ' A' ' 56' ' ' ALA . 15.3 mt -73.91 -25.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.85 -29.68 68.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.4 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -162.95 174.59 39.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -88.06 -19.08 27.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -45.73 -49.25 37.49 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.9 -40.2 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.87 -35.76 81.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.47 -41.41 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.547 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 24.1 t-20 -78.34 -20.28 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.464 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.75 -51.93 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.653 ' C ' ' H ' ' A' ' 190' ' ' ALA . 15.7 t -89.36 -57.96 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.3 t-80 -68.46 24.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.634 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.653 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -136.57 66.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CH2' ' CD ' ' A' ' 168' ' ' GLN . 10.6 m95 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.008 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.0 -174.44 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.539 1.81 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.76 140.76 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ASN . 4.5 tt -106.68 144.74 32.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.53 ' CG1' ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -128.19 140.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.492 HG21 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.66 124.74 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.34 115.29 5.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.558 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -102.01 100.01 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.42 -148.56 7.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' HIS . 3.5 m-20 -134.99 127.5 18.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.89 -152.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.64 -77.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -51.87 -32.31 31.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.578 ' CD1' HD11 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -92.42 -20.51 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -73.07 -39.78 65.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 21' ' ' ARG . 35.3 mmt-85 -42.42 -27.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.425 ' CG2' HD13 ' A' ' 151' ' ' LEU . 14.2 p -77.19 25.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.588 ' C ' ' H ' ' A' ' 23' ' ' ASN . 8.9 mmp_? 66.94 10.68 7.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -62.57 4.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.588 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.9 t-20 -125.75 33.73 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 4.4 mt -62.6 -42.46 99.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -55.44 -47.05 78.43 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.609 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.7 t80 -83.0 -25.24 32.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 17.0 t -76.59 -40.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CD1' ' A' ' 93' ' ' ILE . 61.5 t -80.04 -36.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -64.68 -44.52 90.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.195 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 26.6 t0 -70.29 -43.24 70.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -55.15 -51.64 65.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.1 -61.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB1' ' CB ' ' A' ' 51' ' ' ALA . . . -59.68 -19.95 52.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -80.1 -28.66 39.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -97.81 -42.53 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -64.35 -164.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.99 27.61 19.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 33' ' ' ALA . . . -99.47 118.43 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 48.43 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 2.0 t80 -79.62 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.588 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER 157.59 -160.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -108.21 151.09 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.57 169.67 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -66.09 -149.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.6 mtp85 -34.2 149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.483 ' CB ' HD23 ' A' ' 79' ' ' LEU . 15.8 m 35.84 30.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -115.85 -69.81 0.45 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.529 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 46.72 -172.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.609 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -71.69 135.67 46.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -154.18 158.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.63 1.206 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HA ' ' HB3' ' A' ' 40' ' ' PHE . . . -164.21 109.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.435 ' CG2' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -93.96 126.81 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 -162.85 9.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mtp-105 -154.54 131.13 10.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.226 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 60' ' ' LEU . 5.7 p -163.43 -178.12 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.437 ' HB2' ' CA ' ' A' ' 174' ' ' GLU . . . 41.46 27.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.33 52.17 42.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.596 1.185 . . . . 0.0 111.013 -179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' SER . 2.1 mmt-85 178.37 154.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.457 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 3.2 m -77.24 162.68 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 55' ' ' SER . 3.6 pp -149.15 126.99 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.48 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 14.5 t -107.33 106.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -99.26 127.0 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.211 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.486 ' CB ' HG22 ' A' ' 50' ' ' VAL . . . -143.28 162.72 34.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 177.66 122.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.777 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.08 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 12.3 mmt85 -78.2 -81.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.96 -22.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 108.265 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.889 ' O ' ' N ' ' A' ' 72' ' ' SER . 26.2 m-85 60.95 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.517 ' C ' ' O ' ' A' ' 68' ' ' TYR . 4.0 ttt -28.29 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -71.88 -48.88 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -51.34 -35.56 38.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.889 ' N ' ' O ' ' A' ' 68' ' ' TYR . 84.4 p -70.59 -56.49 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.056 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.547 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -42.33 -48.84 5.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.881 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.81 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.573 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.2 tp60 -38.9 -50.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 18.8 mt -66.02 -43.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.35 -70.58 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.881 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.03 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.22 -40.22 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.741 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.06 -50.89 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -15.92 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.687 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -76.1 -44.27 39.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -82.26 -12.15 58.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.2 t 58.14 54.62 5.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 110.048 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 86' ' ' ALA . 46.1 t -104.87 167.95 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.402 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -88.64 154.16 50.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -24.73 12.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.63 1.7 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.6 m-20 -111.61 -24.32 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.454 HD11 ' CG2' ' A' ' 76' ' ' ILE . 1.3 tt -88.98 135.81 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.53 ' CG1' ' CG1' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -136.63 141.0 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 133' ' ' VAL . 24.9 t -117.88 130.68 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.536 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 2.1 pt -110.36 148.02 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.363 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.558 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 6.5 t-160 -155.4 170.78 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.503 ' OD1' ' C ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -98.64 146.06 26.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.06 157.99 32.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.951 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' H ' ' CD2' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -99.16 101.4 12.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 138' ' ' GLY . 85.7 m-20 -88.72 -74.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -135.47 -79.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.2 tm-20 -92.19 170.75 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.618 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -91.94 70.83 5.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.581 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 161.67 48.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.488 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -136.52 163.15 31.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.465 0.744 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 0.8 OUTLIER -122.14 165.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.51 103.56 3.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.28 140.3 37.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -159.1 173.07 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -108.18 -54.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -82.27 -67.53 1.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 62.39 -143.47 48.67 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -99.14 -63.87 0.84 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.5 tt0 68.24 -63.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 0.735 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . -36.38 -65.29 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.8 -45.34 93.61 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.409 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -61.25 122.61 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.541 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -45.76 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.41 -61.38 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.37 -46.89 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.6 ttt180 -58.81 -35.31 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -69.15 -35.11 76.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.547 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 27.2 t -65.92 -44.11 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 127' ' ' THR . 38.5 t -71.13 -30.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.84 -39.5 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -72.74 -44.5 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.689 ' CD1' ' CE1' ' A' ' 130' ' ' PHE . 13.3 mt -79.74 -24.31 41.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 64.93 5.93 21.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.409 1.068 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -98.39 -152.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.411 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -179.6 49.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.57 -0.85 3.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.689 ' CE1' ' CD1' ' A' ' 125' ' ' LEU . 0.5 OUTLIER -66.63 156.03 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -100.53 159.79 14.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -133.34 149.99 51.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.234 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 92' ' ' VAL . 2.3 t -144.14 81.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.607 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.9 mtp180 -86.43 145.19 26.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.4 mt -96.36 150.58 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.485 ' N ' HG23 ' A' ' 135' ' ' ILE . . . -109.79 102.52 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.644 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.7 pp -119.45 82.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -26.18 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.445 ' CG1' HD22 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -81.71 -30.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.578 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.8 mm? -97.9 39.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.726 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 39.4 tt0 -61.35 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.726 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 18.6 t30 132.4 45.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.664 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -72.67 28.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.605 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.99 -52.51 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.531 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.96 -72.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.664 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.86 11.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.4 mm-40 -75.17 -30.42 60.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.999 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.467 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -76.36 -34.9 58.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.593 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 4.1 mm-40 -76.23 -37.46 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.0 t -51.67 -49.36 83.51 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.999 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.7 Cg_endo -74.94 -30.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.479 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 42.7 m -62.73 -59.04 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.593 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.5 -53.27 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 50.9 m -44.9 -49.36 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 108.267 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.95 -47.02 84.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 188' ' ' VAL . 11.1 mm100 -61.36 -47.36 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.91 -44.66 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.1 -47.21 68.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.569 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.8 -44.97 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -60.66 -50.68 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.437 ' CA ' ' HB2' ' A' ' 56' ' ' ALA . 2.2 pt-20 -62.83 -40.19 96.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -44.92 79.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 181' ' ' MET . 7.4 tp -52.16 -53.8 38.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.28 -26.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 179' ' ' GLN . 1.2 tt0 -57.14 -63.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 178' ' ' GLU . 2.6 mt-30 157.92 28.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.19 125.18 1.73 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.47 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 0.0 OUTLIER -117.17 -28.64 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 0.709 . . . . 0.0 111.042 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.5 mt-10 -68.72 -37.73 10.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.96 -39.27 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.84 -38.26 90.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -70.87 -39.86 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 31.5 m-20 -82.11 -21.87 36.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -91.16 -53.51 4.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.595 ' C ' ' H ' ' A' ' 190' ' ' ALA . 50.4 t -86.44 -55.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -72.6 22.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.595 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -84.32 -50.35 7.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.581 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.2 p-90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 107.963 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 3.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.59 8.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -133.39 138.37 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.693 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -114.25 140.69 48.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 t -130.44 144.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.498 ' CG2' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.44 121.27 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.02 118.23 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -94.73 108.34 20.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' HA3' ' OD1' ' A' ' 23' ' ' ASN . . . -124.54 -157.21 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.599 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 1.3 m120 -133.72 120.46 15.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.04 -12.0 21.42 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -57.87 -121.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.418 1.074 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.75 -74.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 0.83 . . . . 0.0 109.235 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.2 -38.62 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.475 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.05 -21.89 23.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.58 67.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -54.42 -27.68 38.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 1.6 t -75.71 19.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.47 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 23' ' ' ASN . 1.8 mtt180 76.81 5.65 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.599 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 13.4 t-160 -64.56 5.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.569 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.587 ' H ' ' C ' ' A' ' 21' ' ' ARG . 32.9 t30 -122.65 23.02 9.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 135' ' ' ILE . 3.3 mt -47.87 -43.13 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.422 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -51.14 -59.41 8.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.408 1.067 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 24.6 t80 -76.78 -23.62 52.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -72.25 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 t -77.07 -54.77 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.506 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -54.19 -36.07 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.1 m-20 -68.65 -53.38 22.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.37 -53.18 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.892 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -59.45 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -62.56 -24.63 67.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.95 -32.43 57.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.59 -43.47 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.31 19.42 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 36.36 29.76 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -38.71 149.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 0.714 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 40.38 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.643 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -62.71 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.45 -164.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.07 146.94 9.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -129.25 -170.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.07 -173.23 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 46' ' ' SER . 9.4 ttm180 51.55 -100.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.484 ' CB ' HD22 ' A' ' 79' ' ' LEU . 65.7 m -110.02 28.89 8.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -98.28 -66.33 0.88 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 42' ' ' ALA . . . 49.3 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 63' ' ' ALA . 2.6 mm-40 -71.16 145.45 49.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -162.77 133.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.643 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -137.75 117.48 13.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.26 125.96 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -119.41 99.27 0.75 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.561 1.163 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG3' ' OG ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -113.93 110.45 20.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 166.86 -168.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.9 21.9 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.22 42.37 57.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.599 1.187 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.0 OUTLIER 173.86 159.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 2.4 t -107.84 169.64 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.9 pp -163.1 124.64 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 6' ' ' LEU . 35.0 t -103.44 94.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.506 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -93.12 118.8 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . -141.26 177.39 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 174.75 131.73 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.693 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.97 -155.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.52 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.9 mmt180 -83.95 -84.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -45.11 -21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.297 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.815 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 m-85 61.28 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' TYR . 31.0 ttm -29.71 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -70.28 -33.64 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -58.89 -34.88 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 68' ' ' TYR . 22.9 t -77.51 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -40.0 -52.53 3.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.953 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.31 -47.22 44.44 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 0.746 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.8 tt0 -43.14 -51.18 6.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.74 ' O ' ' N ' ' A' ' 80' ' ' ALA . 20.5 mt -67.31 -45.8 85.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.14 -69.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.953 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.93 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.576 ' N ' HD21 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -52.32 -40.19 61.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.89 -51.11 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -73.07 -16.33 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.55 -45.08 40.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.418 ' CD1' ' HD1' ' A' ' 82' ' ' PHE . 17.3 m-85 -88.16 -1.42 58.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.3 t 54.87 46.06 25.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.504 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 79.6 t -105.01 146.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.513 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.18 154.54 69.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HG3' ' CG2' ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.12 -12.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -15.7 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.693 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.4 p30 -110.06 -12.81 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.4 HG13 ' OD1' ' A' ' 89' ' ' ASN . 90.4 mt -86.34 130.4 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.426 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -137.85 118.88 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.498 HG23 ' CG2' ' A' ' 8' ' ' VAL . 11.4 t -103.21 134.41 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -114.43 143.83 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -158.35 177.33 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.625 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.457 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -98.3 142.8 29.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 135' ' ' ILE . 9.2 t0 -148.78 174.07 12.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 106.29 16.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.83 -65.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.401 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 2.3 mp -124.43 -120.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.507 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -87.16 -169.67 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -91.85 50.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -174.2 42.44 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.523 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.23 156.99 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 0.813 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.48 HG21 ' CD1' ' A' ' 165' ' ' ILE . 0.9 OUTLIER -115.33 164.5 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 134' ' ' ARG . 12.0 tpt180 -149.81 97.62 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.482 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.36 130.52 52.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -152.46 -178.75 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -131.8 -87.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.489 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -42.1 -82.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.83 -120.09 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.9 49.82 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 44.47 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.51 143.42 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -45.43 97.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.67 125.13 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.73 . . . . 0.0 109.549 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -56.8 -26.01 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.86 -62.29 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.432 1.082 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -42.37 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.493 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -61.23 -33.68 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -75.36 -30.74 60.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.514 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 48.0 t -71.58 -43.12 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.04 -43.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.402 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -71.42 -37.25 71.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -71.91 -47.89 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.612 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 31.1 mt -77.62 -23.12 49.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.68 2.04 48.69 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.528 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 13.5 t -126.71 177.53 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.617 0.834 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.526 ' CD ' ' C ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -142.42 18.59 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 9.22 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 2.1 p90 -86.73 164.09 16.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.417 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 30.2 mt-30 -100.57 156.83 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -134.31 147.78 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 19.7 t -133.1 81.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -86.53 144.04 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 96' ' ' ASP . 1.5 mt -96.86 136.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -90.34 104.08 3.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 3.1 pt -105.89 154.96 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.13 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.421 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 3.2 t80 -72.41 -30.53 64.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.489 ' CG2' ' CD1' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -72.3 -34.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.451 HD22 ' CG1' ' A' ' 150' ' ' VAL . 39.4 mt -92.47 28.38 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.616 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.2 mm-40 -65.72 -104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.616 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 2.7 t-20 145.56 49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.673 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.09 29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.606 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -22.75 -51.73 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.6 1.187 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.507 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.92 -68.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.673 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -48.15 -40.43 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.646 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -75.01 -30.91 61.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.2 -43.67 87.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -79.44 -34.19 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.612 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 10.1 mm-40 -74.72 -36.03 62.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.646 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -56.61 -52.15 75.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.91 -24.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.612 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.9 m -66.23 -61.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.561 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.05 -53.66 31.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.518 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 68.5 m -45.69 -47.6 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.178 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -57.9 -47.44 82.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 188' ' ' VAL . 1.1 tp-100 -64.53 -48.27 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 104' ' ' ILE . . . -65.78 -36.18 82.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -59.1 -42.52 90.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.79 -44.85 84.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.557 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -61.37 -37.52 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 5.2 m -62.89 -51.32 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.77 -47.62 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.81 -35.68 81.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.5 tt -55.35 -52.18 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 26.5 mt -72.33 -23.79 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.6 -41.83 83.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.082 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.19 -71.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.42 176.35 35.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 8.6 ptp -90.48 -16.31 29.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 6.2 mt-10 -50.49 -46.33 84.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.02 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.606 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.42 -39.01 91.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.507 ' HG3' ' CG ' ' A' ' 189' ' ' HIS . 4.8 tt0 -70.7 -39.2 73.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.3 t-20 -81.3 -19.62 42.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 1.3 ttt-85 -95.16 -53.03 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.606 ' N ' ' O ' ' A' ' 184' ' ' ALA . 75.8 t -88.11 -57.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.507 ' CG ' ' HG3' ' A' ' 185' ' ' GLN . 26.7 m80 -71.82 21.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.6 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -84.54 -41.69 16.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.455 ' C ' ' NH2' ' A' ' 103' ' ' ARG . 1.4 p-90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.14 137.64 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.662 ' N ' ' O ' ' A' ' 89' ' ' ASN . 7.7 tt -106.59 149.24 27.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 91' ' ' ILE . 15.6 m -132.38 141.06 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -128.38 124.64 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.71 110.18 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.528 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -97.05 97.01 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.71 -143.16 6.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.155 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.459 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 2.3 t30 -135.24 127.37 17.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.3 Cg_endo -75.04 139.1 23.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' ALA . . . 74.73 162.26 9.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.425 1.078 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -39.55 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 m120 37.86 -139.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.505 ' HB3' ' CD1' ' A' ' 151' ' ' LEU . 2.3 m-85 -69.12 -14.85 63.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ALA . . . -48.15 -24.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 17' ' ' TYR . 3.3 tpt180 -68.39 -45.91 71.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.708 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 44.3 p -67.95 -2.42 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.708 ' CB ' ' O ' ' A' ' 20' ' ' THR . 3.3 tpp180 104.12 13.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -71.28 14.57 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.459 1.099 . . . . 0.0 109.655 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.565 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.4 t-20 -123.17 12.7 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -39.72 -45.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -47.01 -56.68 7.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 59.4 t80 -83.95 -23.13 31.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -70.47 -45.18 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.485 HG22 ' CD2' ' A' ' 24' ' ' LEU . 1.8 t -79.79 -45.96 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . . . -57.5 -35.69 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' ALA . 29.1 t0 -73.92 -53.38 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.506 ' CD2' ' SG ' ' A' ' 166' ' ' CYS . 0.2 OUTLIER -55.66 -48.28 75.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.85 -59.25 5.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -61.11 -19.04 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.72 -29.26 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.48 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.63 -42.27 10.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.344 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -53.7 -19.42 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.88 -14.83 60.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 33' ' ' ALA . . . -64.47 146.2 54.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.19 49.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' HB3' ' O ' ' A' ' 50' ' ' VAL . 1.7 t80 -61.07 -118.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 175.93 -161.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.602 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -127.36 150.7 49.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ALA . 22.9 m-70 -121.87 152.59 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.572 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -173.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.4 ttp180 37.41 -144.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.511 ' CB ' HD22 ' A' ' 79' ' ' LEU . 2.5 p -67.58 56.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -128.99 -52.35 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 45.58 -171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.602 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 12.8 tp10 -70.07 147.24 50.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 71.7 t -156.68 152.4 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.526 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -163.75 106.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -86.19 147.99 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.6 -165.84 12.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.98 130.62 13.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 0.822 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -175.91 179.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 174' ' ' GLU . . . 44.77 25.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 66.8 41.89 93.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' SER . 5.4 tpm_? -175.4 154.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.89 164.61 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.4 OUTLIER -139.92 128.05 22.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.198 -179.917 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.479 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 94.1 t -107.97 96.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' A' ' 29' ' ' ALA . 2.1 tm? -94.3 121.81 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' CB ' HG23 ' A' ' 50' ' ' VAL . . . -142.25 167.64 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HE3' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -176.55 126.2 0.32 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 -179.919 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.627 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 -155.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.527 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.2 mmt180 -80.55 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.43 -16.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 108.342 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.68 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.0 m-85 60.69 -82.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 68' ' ' TYR . 24.5 ttm -37.71 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.666 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 10.4 t-20 -59.54 -42.92 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.516 ' HA ' ' HD3' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -50.45 -42.42 54.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 39.8 t -65.59 -51.51 59.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.608 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.77 -51.46 6.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.928 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.45 -54.48 6.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.57 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -43.0 -49.28 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -66.53 -44.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.0 -69.57 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.928 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.96 -47.19 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -53.49 -41.21 66.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.779 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.14 -50.16 62.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.73 61.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.3 t80 -73.42 -43.34 60.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -78.95 1.5 23.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 p 52.14 46.96 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.45 HG11 ' N ' ' A' ' 86' ' ' ALA . 79.3 t -127.21 151.18 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' OD1' ' A' ' 89' ' ' ASN . . . -83.01 157.98 65.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.558 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.96 -9.11 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.434 1.754 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -19.39 57.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -102.94 -17.73 15.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.2 mt -86.05 134.92 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CD1' HG11 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -136.97 123.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.6 p -102.03 137.0 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.558 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -114.62 147.08 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.508 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 7.6 t-160 -153.64 167.05 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.482 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -91.79 142.1 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -154.12 167.41 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.447 ' HG ' ' CD1' ' A' ' 137' ' ' ILE . 1.4 mp -99.0 133.03 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 138' ' ' GLY . 11.5 t0 -126.63 -85.49 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.415 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -136.44 -74.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -88.99 166.2 14.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.74 55.46 2.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 175.94 49.01 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.493 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -134.07 163.09 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 0.726 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.3 pp -123.06 165.96 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.8 mmt180 -147.77 106.49 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.8 139.08 41.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 165.71 34.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -105.21 -54.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.499 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -85.87 -95.33 0.79 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.429 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . 75.7 -85.58 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.66 119.25 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.85 -55.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 53.68 -129.38 41.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . -79.48 62.96 4.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 114' ' ' GLY . 61.7 m-70 -147.73 106.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.584 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.07 -37.34 78.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.86 -65.92 3.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 122' ' ' VAL . 8.5 mt -53.11 -50.15 65.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -57.68 -34.7 69.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 3.5 m -70.19 -30.62 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.51 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 15.4 t -71.07 -42.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.54 HG22 ' CE1' ' A' ' 130' ' ' PHE . 10.3 t -70.06 -33.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.5 -37.85 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.79 -47.43 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.497 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 15.1 mt -81.24 -23.52 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 68.33 4.69 38.51 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 0.1 OUTLIER -118.0 176.11 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -143.03 62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -131.13 18.25 4.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.558 ' HA ' ' O ' ' A' ' 87' ' ' PRO . 30.9 p90 -90.99 172.18 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -115.7 159.11 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.429 ' NH1' ' HA3' ' A' ' 110' ' ' GLY . 0.3 OUTLIER -130.67 147.75 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 8.2 t -140.26 81.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -87.71 145.19 26.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 96' ' ' ASP . 3.5 mp -96.99 149.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.5 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -108.87 95.4 0.91 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.605 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -105.52 101.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.558 1.161 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.412 ' O ' HD21 ' A' ' 151' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.73 -36.53 72.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.0 t80 -75.8 -25.39 56.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.489 ' CG2' HD13 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -77.02 -29.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.505 ' CD1' ' HB3' ' A' ' 17' ' ' TYR . 4.5 mm? -90.36 44.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.8 mm-40 -67.75 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 7.7 t-20 145.64 45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -76.77 27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.563 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.26 -52.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.3 Cg_endo -75.01 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.603 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -41.78 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.346 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.675 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.2 mt-10 -74.96 -29.55 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.992 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.23 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.441 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -75.87 -35.47 59.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.577 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 3.9 tp10 -77.76 -37.48 48.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.675 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -50.78 -49.29 80.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.992 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -36.89 2.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.6 m -51.95 -53.48 40.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.577 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -76.73 -47.37 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.61 ' O ' ' N ' ' A' ' 170' ' ' ALA . 53.8 t -48.64 -54.51 14.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.668 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 1.1 mm-40 -58.63 -52.97 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.235 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -48.91 79.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -70.8 -29.71 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.94 -47.42 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.22 -43.81 69.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -64.1 -41.65 97.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.9 m -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -56.45 -45.21 80.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 178' ' ' GLU . 0.6 OUTLIER -68.43 -39.66 81.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.517 ' HG ' ' CB ' ' A' ' 181' ' ' MET . 3.1 tt -50.59 -47.77 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.445 ' HB ' ' CB ' ' A' ' 56' ' ' ALA . 72.6 mt -81.56 -21.25 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.476 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 8.4 tm-20 -58.07 -49.2 77.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -139.13 -72.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -142.88 168.23 26.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.517 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 15.8 ptp -90.67 -9.48 46.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 0.808 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.551 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -46.72 -48.51 49.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.582 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -75.01 -37.14 2.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.719 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.88 -43.25 93.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -68.52 -38.31 80.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.97 -24.47 35.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.97 -56.38 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.719 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -71.73 -50.73 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -79.86 16.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -77.49 -54.82 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.539 ' CH2' ' HA ' ' A' ' 188' ' ' VAL . 31.1 p90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.01 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.434 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 1.4 pt-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.19 31.89 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.603 1.844 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -135.74 136.55 40.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.701 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.2 tt -122.35 139.11 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.223 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.52 ' CG1' ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.9 139.41 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -132.66 122.27 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.02 110.95 3.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -96.27 105.26 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.265 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -133.58 -137.92 3.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.492 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -134.26 130.92 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.99 75.98 3.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . 60.07 139.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 164.0 136.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -54.17 -37.6 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 151' ' ' LEU . 7.6 t80 -84.15 -18.47 36.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -71.34 -38.5 71.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' ' C ' ' A' ' 20' ' ' THR . 17.4 mmt85 -46.58 -49.61 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.759 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 71.2 p -27.8 -43.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.759 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 160.89 -9.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.484 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -54.16 -3.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.618 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.1 t-20 -117.11 37.74 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -66.95 -52.19 46.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.542 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -48.0 -55.42 10.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 5.2 t80 -71.53 -26.99 62.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.58 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 1.8 t -65.81 -41.43 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.4 ' HB ' HD12 ' A' ' 93' ' ' ILE . 61.0 t -72.35 -52.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -57.69 -45.93 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 12.8 t70 -60.83 -40.93 94.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -60.81 -62.1 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 2.9 mt -51.73 -33.71 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -81.62 -24.99 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -93.12 -0.62 56.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -117.99 -40.96 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.354 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.538 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -81.37 -15.36 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.89 1.57 79.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.541 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -29.82 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.62 37.89 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.715 ' CD2' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -58.83 -153.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 -162.1 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.64 146.34 13.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ALA . 3.0 t-80 -132.91 171.84 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.48 -166.7 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 37.75 -144.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.496 ' CB ' HD21 ' A' ' 79' ' ' LEU . 60.3 m -70.24 51.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -126.63 -62.17 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 47' ' ' GLY . . . 45.59 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 63' ' ' ALA . 2.0 mt-10 -67.26 139.87 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -151.15 135.68 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.715 ' HB1' ' CD2' ' A' ' 40' ' ' PHE . . . -142.43 124.48 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 124.86 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.84 93.65 0.62 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.4 OUTLIER -114.08 109.16 18.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 165.45 -177.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 61.13 23.34 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.46 31.02 78.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -167.92 159.51 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -107.13 162.63 13.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.945 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.99 127.49 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.386 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.562 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 4.6 t -98.35 111.51 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' ALA . 1.1 tm? -102.5 110.79 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . -140.01 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.558 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.15 129.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.644 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.92 -156.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.6 mmt180 -86.52 -83.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -46.84 -19.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.754 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.0 m-85 60.01 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -38.06 -79.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.98 -35.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.591 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -58.98 -38.83 80.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.754 ' N ' ' O ' ' A' ' 68' ' ' TYR . 24.3 t -73.06 -51.65 17.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.52 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -47.54 -50.12 19.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.57 -47.58 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.591 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -45.29 -50.61 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 80' ' ' ALA . 50.9 mt -68.09 -45.25 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.61 -69.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.424 1.75 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -53.78 -40.16 66.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.762 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.2 -49.85 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -14.71 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.719 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.5 t80 -77.48 -42.23 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -79.15 -15.42 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.5 p 46.1 42.98 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.12 -179.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -75.86 120.63 82.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.95 6.04 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.3 -1.11 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.701 ' O ' ' N ' ' A' ' 6' ' ' LEU . 13.9 p30 -109.0 -13.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.568 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 8.5 mt -86.71 128.54 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.52 ' CG1' ' CG1' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -137.93 137.25 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 12.2 p -114.93 132.18 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.542 ' CD1' ' HA2' ' A' ' 25' ' ' GLY . 1.1 pt -108.3 145.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.515 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 6.9 t-160 -152.53 -176.91 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -106.15 146.28 30.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.2 t70 -151.6 160.84 43.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 150' ' ' VAL . 1.2 pt? -105.05 108.31 19.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.99 -81.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.417 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 7.5 mp -117.77 -101.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 138' ' ' GLY . 8.8 mp0 -88.23 175.92 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.599 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 1.1 m-85 -91.47 81.58 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.407 ' HA2' HG23 ' A' ' 165' ' ' ILE . . . 162.2 38.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.517 ' CD ' ' O ' ' A' ' 104' ' ' ILE . 3.5 tmm_? -136.73 158.83 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.5 pp -119.7 152.03 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -138.57 100.27 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 106' ' ' LEU . 0.2 OUTLIER -107.02 149.47 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -155.94 -172.07 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.549 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.6 tp -124.61 -85.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.549 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -68.83 -114.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 111' ' ' GLY . . . 37.3 94.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 110' ' ' GLY . . . -33.79 146.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' A' ' 112' ' ' GLU . 1.8 pp20? -38.41 146.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.06 -53.94 20.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.92 50.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.448 ' CD2' HD11 ' A' ' 118' ' ' LEU . 11.9 m-70 -129.89 138.99 51.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 0.775 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 120' ' ' SER . 97.9 m-20 -63.41 -26.39 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.37 -65.12 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.16 -48.45 80.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.417 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -58.05 -38.22 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 19.7 m -69.75 -30.09 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.52 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.5 t -67.41 -45.95 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 14.8 t -73.18 -26.04 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.57 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.23 -45.61 22.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.721 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 13.4 mt -78.94 -22.29 45.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 73.31 9.17 76.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER 82.6 159.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 8.7 mmtt 159.0 -11.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 2.2 p30 151.26 -106.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.721 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 13.8 m-85 62.65 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.48 ' HG3' ' CD1' ' A' ' 108' ' ' ILE . 41.8 mt-30 -113.06 159.23 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 131' ' ' GLN . 5.1 mmt180 -134.38 148.05 50.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 4.2 t -136.51 83.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.1 mtt180 -88.89 161.11 16.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 96' ' ' ASP . 3.3 mp -112.07 154.3 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -106.44 94.92 0.99 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.604 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.48 99.17 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.14 99.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.411 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 8.2 t80 -77.07 -21.1 54.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.496 HG11 ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -74.77 -36.72 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.219 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.466 HD11 ' CG1' ' A' ' 150' ' ' VAL . 1.3 mt -116.5 52.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 149' ' ' PHE . 0.7 OUTLIER -63.9 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.547 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.2 t30 163.18 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.602 1.189 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.612 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -72.99 29.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.579 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.08 -52.75 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.5 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.99 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.582 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -47.52 -40.24 18.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.612 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -74.45 -31.94 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.32 -42.46 91.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.516 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -78.24 -34.76 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.391 1.057 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.588 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 57.7 mm-40 -75.19 -35.98 61.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -55.26 -52.39 71.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -25.69 11.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.8 m -59.62 -58.45 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -74.69 -45.24 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.523 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 16.5 m -47.65 -46.71 29.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.75 -44.53 77.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 188' ' ' VAL . 1.7 tp60 -63.25 -47.42 82.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.96 90.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.81 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -68.24 -45.01 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.571 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -57.54 -43.32 84.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.22 -52.56 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.59 -45.59 85.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.491 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.31 -36.68 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.0 tt -54.65 -52.06 63.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.6 mt -73.47 -23.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -41.63 84.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.63 -71.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.96 175.7 35.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.451 ' CE ' HD23 ' A' ' 106' ' ' LEU . 21.5 ttt -89.59 -20.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.3 mt-10 -46.71 -47.99 50.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -40.13 96.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -72.6 -39.23 67.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 13.5 m-20 -79.43 -19.79 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 183' ' ' PRO . 4.9 ttt180 -97.72 -52.84 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.624 ' C ' ' H ' ' A' ' 190' ' ' ALA . 18.1 t -87.91 -57.96 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.6 ' HA ' ' CZ3' ' A' ' 191' ' ' TRP . 9.6 t-80 -68.96 23.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.624 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -137.84 60.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.6 ' CZ3' ' HA ' ' A' ' 189' ' ' HIS . 20.3 m-90 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.12 160.33 39.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 1.6 mt -135.81 144.41 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -112.18 139.51 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.555 ' CG1' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -121.9 140.83 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.15 121.69 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.466 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -96.09 110.14 3.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -94.49 108.52 20.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.538 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -130.43 -141.61 4.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.069 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 22' ' ' HIS . 23.5 t-20 -138.99 129.38 14.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.641 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -75.13 -20.64 16.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.69 -144.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 19' ' ' ARG . . . -158.12 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' ALA . 7.6 m-80 -37.67 -57.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.555 ' CD2' HD22 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -84.48 -18.34 36.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB2' ' N ' ' A' ' 15' ' ' ALA . . . -72.06 -29.24 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.5 tpt85 -62.91 -58.13 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 81.8 p -28.91 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.662 ' CB ' ' O ' ' A' ' 20' ' ' THR . 0.3 OUTLIER 142.73 3.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.4 t-160 -67.23 9.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.577 ' H ' ' C ' ' A' ' 21' ' ' ARG . 63.5 t30 -130.12 34.77 4.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' CD1' HD12 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -61.46 -48.12 82.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.557 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -51.23 -54.43 23.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CB ' ' OD1' ' A' ' 23' ' ' ASN . 0.7 OUTLIER -73.38 -26.44 61.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.753 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 3.9 t -72.9 -40.56 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -75.64 -50.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -56.76 -36.38 69.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.7 m-20 -68.2 -51.52 44.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.525 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -45.97 -56.35 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.23 -179.945 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.77 -47.02 77.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.307 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' CB ' ' HB1' ' A' ' 38' ' ' ALA . . . -67.73 -18.69 64.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.63 -31.95 36.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -43.34 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -19.49 53.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 93.88 -40.59 2.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB1' ' CB ' ' A' ' 33' ' ' ALA . . . 60.32 145.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.81 17.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.653 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -77.12 -148.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -165.11 -165.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' H ' ' CG ' ' A' ' 41' ' ' LYS . . . -152.31 114.82 4.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.441 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER 178.55 -85.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.86 -163.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 -37.4 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.406 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -76.01 -9.1 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 69.96 86.76 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.493 ' HB1' ' CA ' ' A' ' 65' ' ' PRO . . . -172.92 179.31 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 0.803 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.598 ' OE2' ' CE2' ' A' ' 40' ' ' PHE . 1.2 tp10 -84.47 148.42 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.499 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 17.5 m -148.0 135.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.653 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -144.33 125.2 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 126.55 41.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 110.462 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.05 130.65 5.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 98.27 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 57' ' ' GLY . 15.2 m -166.86 -168.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 51.15 21.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.91 44.39 68.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.26 155.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.48 176.14 10.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.7 pp -175.93 103.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.482 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 23.0 t -102.02 110.48 28.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -98.71 122.85 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -142.34 165.98 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HE3' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 174.6 123.03 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.757 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.94 -155.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.641 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 1.1 mpt_? -79.94 -84.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -46.92 -20.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.757 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 34.8 m-85 60.64 -82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.57 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.093 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.523 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 2.2 m-80 -71.97 -43.23 65.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.533 ' O ' ' NE2' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -52.56 -38.87 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.0 t -70.48 -52.36 22.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.645 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.72 -51.26 3.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.909 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.97 -55.99 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 0.751 . . . . 0.0 110.368 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -43.58 -47.55 7.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.65 -45.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.72 -66.57 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.909 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -75.05 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 4.7 mt -53.95 -41.13 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.757 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.16 -50.1 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -17.88 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.2 t80 -73.41 -45.17 56.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.505 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.6 m-85 -82.39 -12.7 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 t 57.22 55.97 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.0 OUTLIER -106.35 163.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.47 160.69 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -33.41 4.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.8 0.89 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 6' ' ' LEU . 70.6 m-20 -109.5 -23.51 11.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.34 133.06 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.555 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -136.54 119.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' HG23 ' A' ' 8' ' ' VAL . 43.7 t -104.47 123.78 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -103.72 144.92 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.576 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 10.2 t-160 -151.36 -177.55 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.674 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.514 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p-10 -102.88 140.28 37.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.3 t70 -151.13 163.88 37.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -103.58 120.31 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.78 -71.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 138' ' ' GLY . 4.6 mm? -125.07 -106.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -90.55 174.56 7.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.578 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 63.6 m-85 -90.12 93.75 9.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.497 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 148.39 40.93 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.506 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -140.26 157.64 45.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.0 OUTLIER -117.14 165.5 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -147.29 107.64 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.21 131.86 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.29 174.99 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.512 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -132.24 -87.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.512 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -49.22 -51.34 26.24 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.13 76.68 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -139.72 -168.92 11.47 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 48.47 63.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.89 49.22 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.93 58.26 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -114.54 134.14 55.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -59.79 -52.93 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.69 -63.27 5.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.604 ' O ' HG11 ' A' ' 121' ' ' VAL . 10.8 mt -49.3 -42.88 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.469 ' O ' HG11 ' A' ' 122' ' ' VAL . 8.7 ttp180 -64.06 -32.82 74.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 13.2 t -72.47 -28.42 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.645 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.03 -42.54 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.502 ' N ' HG11 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -63.87 -47.95 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.0 -36.11 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.84 -45.57 70.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.615 ' CD1' ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -78.04 -24.18 47.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.48 2.5 55.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.565 ' HB ' ' CE1' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -107.75 -158.62 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 62.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.04 15.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 87' ' ' PRO . 10.0 m-85 -85.75 162.75 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.481 ' CB ' HD12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -107.24 164.96 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.426 1.079 . . . . 0.0 110.362 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -144.3 149.4 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.5 t -121.76 89.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.3 mtp85 -85.47 145.62 27.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 96' ' ' ASP . 2.8 mt -97.7 151.12 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.459 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -104.26 97.77 1.45 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.61 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -108.65 102.43 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.49 -38.66 78.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -76.02 -25.92 56.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.441 ' CG2' HD13 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -74.65 -29.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 17' ' ' TYR . 2.3 mt -106.18 45.38 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.57 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.5 mm-40 -64.07 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.592 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 5.5 t-20 150.65 46.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.725 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.6 OUTLIER -70.87 31.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -10.42 -55.66 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.906 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.725 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.1 -83.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.573 ' HB1' ' CD2' ' A' ' 154' ' ' PHE . . . -40.88 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.478 ' N ' ' HB3' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -78.54 -43.98 25.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.022 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.52 -30.36 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.503 ' N ' ' HG3' ' A' ' 159' ' ' ARG . . . -75.1 -41.07 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.575 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 4.9 mm-40 -78.18 -35.93 48.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.512 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 1.1 t -49.02 -51.74 53.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.022 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -36.15 2.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.559 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.2 m -52.0 -50.46 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.575 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -80.79 -49.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 170' ' ' ALA . 17.2 m -44.21 -50.99 8.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.65 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 3.8 mm-40 -67.13 -49.07 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.57 -48.45 81.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -71.91 -30.6 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -57.38 -47.73 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.8 m-20 -69.58 -45.5 68.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -61.45 -36.53 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 169' ' ' ALA . 2.2 m -64.88 -51.69 60.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.652 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.97 -34.57 68.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.652 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 tp -72.57 -44.99 61.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.52 ' HG ' ' CB ' ' A' ' 181' ' ' MET . 3.8 tt -50.68 -43.95 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.67 -23.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 175' ' ' LEU . 5.5 tm-20 -57.2 -49.23 76.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.413 1.071 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -140.52 -71.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -144.68 170.84 26.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.52 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 16.9 ptp -89.65 -12.09 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -44.03 -49.68 21.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.929 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -74.96 -36.74 2.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.2 tt0 -68.71 -37.77 79.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 11.4 m-20 -82.29 -23.92 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.32 -57.29 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.723 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -70.26 -49.66 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.563 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.51 17.07 1.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -75.64 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.503 ' CZ3' ' O ' ' A' ' 187' ' ' ARG . 39.9 p90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.05 176.84 9.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -140.39 134.59 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.714 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -133.18 136.71 45.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 34.1 t -129.33 145.93 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.437 HG22 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -140.07 116.95 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.69 114.5 4.84 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.152 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.65 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -107.2 108.89 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.54 -139.6 6.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -133.68 118.12 14.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.97 -7.33 19.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . -62.84 -112.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 164.44 -82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -46.14 -40.88 11.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.587 ' CE1' HD23 ' A' ' 151' ' ' LEU . 1.3 t80 -84.61 -22.89 29.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.83 -28.71 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 21' ' ' ARG . 18.8 mmt85 -45.36 -28.86 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -75.14 20.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.592 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.0 mmp_? 70.43 14.02 7.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 9.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' A' ' 21' ' ' ARG . 65.8 t30 -125.94 29.41 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.526 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -54.19 -46.58 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.58 -61.65 4.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' OH ' ' A' ' 68' ' ' TYR . 1.9 t80 -72.83 -23.03 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.526 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 5.1 t -73.71 -39.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.479 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 1.2 t -71.54 -51.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.1 -47.34 71.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.2 m-20 -59.39 -45.93 90.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.05 -60.56 3.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.89 -25.68 57.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' CA ' ' HB1' ' A' ' 38' ' ' ALA . . . -84.71 -21.18 30.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.7 -28.8 33.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -90.16 -42.82 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -85.07 18.37 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.19 -55.07 0.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.475 ' HB1' ' CA ' ' A' ' 33' ' ' ALA . . . 74.15 145.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -163.84 36.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 109.38 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.546 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.01 -150.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -164.6 -163.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.85 144.81 46.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -100.65 108.42 20.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.78 47.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -39.21 -61.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.501 ' CB ' HD23 ' A' ' 79' ' ' LEU . 78.1 p -78.77 -25.26 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' HIS . . . 72.36 76.49 0.62 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 175.51 178.59 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.753 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.72 147.8 26.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 m -141.75 129.41 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -145.81 110.12 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -98.92 163.5 12.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.37 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -149.21 -165.0 11.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.71 131.01 6.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.3 OUTLIER 174.44 -174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.542 ' CB ' ' CG2' ' A' ' 177' ' ' ILE . . . 44.67 26.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.0 50.71 56.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.3 154.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 0.762 . . . . 0.0 110.345 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -77.82 164.09 25.5 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -141.81 129.27 21.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.466 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.5 t -107.77 108.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 1.5 tm? -107.82 110.22 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.97 172.92 7.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER -177.12 115.87 0.26 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.652 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -155.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.6 mmt180 -84.88 -85.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -47.15 -19.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 108.322 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.733 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.0 m-85 61.42 -80.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.451 ' CG ' ' HA3' ' A' ' 117' ' ' GLY . 3.9 ttt -37.7 -84.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -69.2 -38.05 78.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -56.44 -37.78 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.8 t -71.5 -56.67 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.635 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -41.47 -52.58 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.57 -47.1 28.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.587 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.5 tp60 -43.99 -50.86 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 110.237 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 80' ' ' ALA . 7.9 mt -68.34 -48.31 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.38 -66.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.01 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.501 HD23 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.44 -40.97 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.46 -50.11 54.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -16.8 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.751 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -82.55 -12.87 57.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.8 t 51.54 46.25 26.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.959 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.96 172.05 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.503 ' O ' ' OD1' ' A' ' 89' ' ' ASN . . . -80.45 123.6 82.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.49 ' O ' ' CG2' ' A' ' 90' ' ' ILE . 18.2 Cg_endo -75.01 3.24 5.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.1 -14.54 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.714 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -99.6 -4.17 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.913 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 87' ' ' PRO . 1.2 tt -86.81 134.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.448 ' CG1' ' O ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -134.72 116.94 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.437 ' CG2' HG22 ' A' ' 8' ' ' VAL . 46.7 t -99.72 123.17 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.617 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -111.95 143.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.65 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 13.0 t-160 -161.96 166.28 26.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.547 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.554 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 6.9 t0 -94.07 145.13 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -138.19 168.07 20.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.558 ' CA ' ' HA3' ' A' ' 138' ' ' GLY . 1.1 pt? -96.13 83.5 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -132.05 -47.68 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.581 HD22 ' CD1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -136.4 95.97 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 138' ' ' GLY . 48.7 tt0 -75.25 35.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.581 ' CD1' HD22 ' A' ' 99' ' ' LEU . 6.3 m-85 -100.63 -40.98 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.574 ' O ' ' CG2' ' A' ' 165' ' ' ILE . . . 124.42 37.68 0.55 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.662 ' NH2' ' CD1' ' A' ' 191' ' ' TRP . 15.0 mmt-85 -103.04 -179.38 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.249 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.46 HD11 ' CB ' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -122.41 166.69 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.3 OUTLIER -146.79 109.07 4.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.615 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.82 132.17 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.31 166.41 26.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.506 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -127.94 -87.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.506 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -64.03 -35.29 91.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.431 ' C ' ' NH1' ' A' ' 132' ' ' ARG . . . -86.93 143.93 19.2 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.95 -173.02 18.96 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 70.11 73.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -116.36 -101.23 2.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.48 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -89.17 71.81 2.3 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 29.6 m80 -155.76 111.68 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' SER . 1.8 t30 -62.95 -43.12 99.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.451 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -54.57 -61.9 6.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.62 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.9 mt -53.01 -51.11 62.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.7 mtp180 -59.11 -31.64 69.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 31.1 t -73.45 -28.31 61.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.635 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.89 -43.35 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.559 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.52 -45.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.98 -36.9 75.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -71.62 -38.88 70.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.532 HD22 ' CB ' ' A' ' 80' ' ' ALA . 1.6 mt -82.6 -22.4 34.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.86 7.69 75.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 72.76 127.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -178.13 36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 1.3 m-20 87.79 125.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.559 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 22.1 p90 -178.9 158.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.474 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -129.03 167.44 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 110.237 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.72 150.93 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.345 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.617 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 41.7 t -126.51 89.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 19.8 mtp180 -86.38 144.2 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.523 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 3.2 mp -104.86 149.6 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . -94.13 118.52 5.78 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.745 ' CG2' ' O ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -145.35 23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.38 0.694 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.558 ' HA3' ' CA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.429 ' O ' HG11 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.52 90.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.92 -25.99 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -77.88 -33.31 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.587 HD23 ' CE1' ' A' ' 17' ' ' TYR . 85.5 mt -79.36 50.44 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.692 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -81.75 -99.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.692 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.6 t30 138.69 49.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.654 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -69.32 27.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.604 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.46 -52.11 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.51 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.654 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -41.71 14.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.9 mt-10 -73.26 -32.29 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.02 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -59.93 -42.57 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.496 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -75.67 -36.65 60.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.633 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 12.8 mm-40 -75.99 -37.56 58.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -50.69 -52.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.02 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -29.62 7.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.633 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.3 m -60.43 -56.68 18.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.431 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.0 OUTLIER -73.08 -51.68 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 21.8 m -41.05 -48.66 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.357 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.21 -48.57 70.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.522 ' HB3' ' CE2' ' A' ' 191' ' ' TRP . 0.9 OUTLIER -64.71 -43.52 93.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 165' ' ' ILE . . . -71.92 -35.35 69.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -56.08 -49.01 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.87 -38.62 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.527 ' HB1' ' CG2' ' A' ' 188' ' ' VAL . . . -65.56 -37.25 86.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.9 m -65.09 -51.01 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.7 pt-20 -55.35 -43.01 74.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.49 -38.91 92.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.546 ' HG ' ' CB ' ' A' ' 184' ' ' ALA . 1.4 tt -54.74 -49.05 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.542 ' CG2' ' CB ' ' A' ' 56' ' ' ALA . 8.4 mt -79.09 -17.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -70.31 -33.55 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -132.64 -72.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -174.31 -152.13 8.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.596 1.185 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 185' ' ' GLN . 3.3 ptt? -95.35 -34.81 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -44.58 -51.94 19.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.945 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.14 -36.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.838 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.27 -43.15 82.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -66.9 -37.03 83.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 58.6 t30 -81.27 -22.66 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 3.7 ttt180 -102.88 -58.46 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.838 ' N ' ' O ' ' A' ' 184' ' ' ALA . 14.7 t -62.16 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.57 6.49 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.553 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -85.22 -71.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.662 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.046 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 8.7 pt-20 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 17.9 Cg_endo -75.04 167.88 26.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -135.64 141.2 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.539 ' CG1' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -122.78 141.0 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.13 124.11 45.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.85 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -95.62 100.48 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.86 -159.33 22.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.403 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.3 m120 -134.52 111.18 11.53 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 9.92 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 17' ' ' TYR . . . -54.22 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.92 -129.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.41 -33.75 68.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.677 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -68.39 -29.32 67.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' ASN . . . -75.87 -38.24 58.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.582 ' O ' ' C ' ' A' ' 20' ' ' THR . 5.7 tpt180 -57.82 -45.83 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.582 ' C ' ' O ' ' A' ' 19' ' ' ARG . 51.5 p -22.48 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.621 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER 161.97 -11.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.72 2.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.621 ' H ' ' C ' ' A' ' 21' ' ' ARG . 60.2 t30 -112.31 36.17 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -61.52 -62.44 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -33.99 -62.01 0.48 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CG ' ' OH ' ' A' ' 68' ' ' TYR . 2.7 t80 -66.94 -35.4 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -62.22 -41.94 93.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.2 t -69.98 -51.39 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -55.41 -47.38 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 6.1 t70 -67.04 -30.2 70.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -64.31 -60.37 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.911 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.63 -50.35 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -52.52 -36.05 54.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -44.54 11.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -168.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.911 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -90.87 -13.91 58.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 52.86 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.71 67.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.758 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -145.28 -151.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.979 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -151.44 -166.44 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.575 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -161.32 108.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER 179.02 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt 58.89 -172.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -31.69 49.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.216 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.481 ' CB ' HD21 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -71.93 -39.75 69.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 97.02 56.03 1.16 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.518 1.137 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.557 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -143.22 -179.36 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.575 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 mm-40 -83.69 146.88 27.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.02 107.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.758 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -115.55 109.64 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.01 150.67 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.12 134.12 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -141.03 98.47 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -162.33 -163.27 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.71 27.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.69 47.6 87.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER 177.15 152.85 0.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 110.347 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.09 178.49 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.2 pp -175.95 122.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 6' ' ' LEU . 8.1 t -106.13 114.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' ALA . 1.5 tm? -104.45 126.01 51.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 49' ' ' GLU . . . -142.64 165.61 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.03 121.23 0.31 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.648 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.06 -157.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.606 1.845 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.501 ' C ' ' N ' ' A' ' 68' ' ' TYR . 21.8 mmt180 -81.96 -83.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -46.87 -19.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.735 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.48 ' CG ' ' HA3' ' A' ' 117' ' ' GLY . 8.2 ttt -34.35 -93.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.32 -37.39 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.547 ' OE2' ' CZ ' ' A' ' 74' ' ' ARG . 2.6 mm-40 -56.48 -31.07 63.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.735 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.9 t -78.05 -56.25 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.648 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.55 -52.82 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.969 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.67 -44.55 49.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 0.728 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.3 tm0? -46.67 -50.51 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.791 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.9 mt -67.38 -46.56 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.401 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.11 -68.1 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.969 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -74.94 -45.82 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -54.96 -39.47 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.51 -50.21 59.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -16.0 60.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.676 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -81.98 -37.61 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.2 -10.79 59.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.49 12.01 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.6 t -93.46 150.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.87 165.16 40.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.424 ' O ' HG21 ' A' ' 90' ' ' ILE . 18.2 Cg_endo -74.91 -18.04 19.29 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.582 1.833 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.16 -9.26 15.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 6' ' ' LEU . 69.3 m-20 -110.61 -20.39 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.424 HG21 ' O ' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -87.47 138.72 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.539 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -138.45 123.03 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 133' ' ' VAL . 58.7 t -103.96 137.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -117.06 146.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.568 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 9.3 t-160 -151.5 164.98 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.475 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 4.1 t0 -99.65 140.82 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.9 t0 -155.09 152.35 29.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 150' ' ' VAL . 0.6 OUTLIER -82.13 129.65 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.4 -79.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.52 -69.99 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.16 164.44 13.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 110.238 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -93.48 22.37 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -154.98 54.61 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.8 tmm_? -134.11 156.72 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.9 pp -123.76 159.51 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -143.79 112.93 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.7 139.3 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 172.13 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.6 OUTLIER -98.69 -93.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.495 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -105.28 40.73 2.37 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -37.53 -87.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.72 149.64 5.38 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.12 74.95 2.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 0.808 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.12 -83.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.555 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -139.09 80.42 0.28 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 88.5 m-70 -163.59 112.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.45 -33.06 58.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.78 -67.32 2.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.616 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.2 mt -48.18 -42.15 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.475 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.68 -31.7 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 110.372 179.933 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 5.5 t -74.97 -28.16 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.648 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.07 -43.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.555 HG22 ' CZ ' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -66.71 -46.17 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.455 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.13 -37.55 78.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -67.55 -45.38 75.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.424 HD22 ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -78.85 -20.6 49.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.36 2.19 87.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 74.45 130.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.6 mmtt -179.47 32.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.7 m-20 81.88 98.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.555 ' CZ ' HG22 ' A' ' 122' ' ' VAL . 6.3 p90 -127.05 160.8 30.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -108.18 155.3 20.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 3.5 tpp180 -140.63 163.48 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 24.3 t -153.17 85.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -89.38 141.91 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.5 mp -96.35 147.35 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.8 103.64 2.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.8 pp -121.67 81.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.998 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.46 82.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -75.21 -29.76 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.91 -41.46 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.419 ' C ' HG21 ' A' ' 20' ' ' THR . 1.1 mt -93.89 39.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 4.6 tt0 -75.75 -101.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.631 ' C ' ' H ' ' A' ' 155' ' ' THR . 7.9 t-20 162.99 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.854 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -67.15 30.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.631 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -23.68 -48.95 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.73 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.768 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.616 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -75.22 -26.83 59.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.854 ' N ' ' O ' ' A' ' 154' ' ' PHE . 19.9 mt-10 -81.04 -40.23 24.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -66.47 -34.95 79.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 0.0 110.276 -179.935 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.39 -38.93 48.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.58 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 5.1 mm-40 -77.87 -34.78 51.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.522 ' O ' ' SG ' ' A' ' 166' ' ' CYS . 1.5 t -52.64 -51.88 69.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.07 -30.69 6.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.58 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 4.2 m -55.11 -55.05 35.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.549 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.08 -48.45 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 170' ' ' ALA . 54.1 m -49.31 -47.52 46.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -65.58 -46.13 80.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -65.32 -44.96 86.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -72.73 -34.54 67.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -57.31 -49.08 77.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -68.94 -40.73 78.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.613 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -64.41 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 169' ' ' ALA . 7.2 m -63.48 -51.32 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -59.34 -43.68 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.446 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.3 tp -68.63 -36.19 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.8 tt -55.2 -50.74 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -76.91 -21.81 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.85 -58.88 6.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -119.13 -73.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -154.79 -171.75 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 185' ' ' GLN . 7.7 ptp -88.71 -18.62 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -46.65 -48.44 49.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.92 -37.75 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.456 1.766 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.658 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.46 -36.87 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.627 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.2 tt0 -71.16 -39.98 71.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.4 t-20 -82.63 -21.93 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.17 -55.14 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.912 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.658 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -76.21 -57.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.627 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -65.37 -6.51 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.676 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -139.67 97.35 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.02 152.21 40.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -132.3 140.1 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.1 tt -107.57 143.6 35.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.527 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 2.0 t -126.34 139.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.14 120.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.19 106.68 3.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.578 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -92.47 98.63 11.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.37 -141.16 5.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.573 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 4.7 m-20 -140.28 130.73 13.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.507 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 139.35 24.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.34 113.89 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.82 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 44.38 -140.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.578 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 2.0 t80 -64.81 -17.21 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.499 ' HB2' ' CB ' ' A' ' 12' ' ' ASN . . . -72.56 -42.01 65.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.524 ' O ' ' C ' ' A' ' 20' ' ' THR . 8.7 tpt85 -37.76 -48.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.616 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 30.6 p -28.61 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.629 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 166.68 -15.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.464 ' CD2' HH21 ' A' ' 21' ' ' ARG . 0.1 OUTLIER -54.21 -3.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.513 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.629 ' H ' ' C ' ' A' ' 21' ' ' ARG . 59.8 t30 -120.69 44.01 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -62.2 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -34.16 -64.78 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ASP . 1.3 t80 -63.36 -34.87 78.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.613 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 1.8 t -58.01 -41.13 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.4 t -77.38 -51.07 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -56.89 -34.46 67.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 6.4 m-20 -69.7 -54.24 14.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD22 ' CG1' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -56.95 -53.87 53.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mt -57.15 -51.66 68.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -62.06 -24.52 67.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.27 -30.95 58.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -44.18 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -39.92 92.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.39 -8.6 79.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.31 141.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.705 ' CD2' ' CB ' ' A' ' 51' ' ' ALA . 64.3 m-85 -60.1 156.84 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' O ' ' CD ' ' A' ' 49' ' ' GLU . 1.6 mttp -118.32 175.4 5.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 43' ' ' HIS . . . -126.68 153.56 45.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 48' ' ' ALA . 6.6 t-160 71.55 -85.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.577 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.14 52.8 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 71.66 -70.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 110.297 -179.95 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -39.51 -44.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.01 49.89 1.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' HIS . . . -171.72 -176.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 3.7 tp10 -84.38 149.35 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.257 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.517 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 8.2 p -170.41 157.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.705 ' CB ' ' CD2' ' A' ' 40' ' ' PHE . . . -171.76 124.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.29 151.25 46.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.404 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -140.6 133.39 5.91 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -140.48 105.42 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.414 0.714 . . . . 0.0 110.343 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.44 -173.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.07 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.07 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.41 58.82 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HB3' ' CG2' ' A' ' 177' ' ' ILE . 0.6 OUTLIER -178.65 157.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.0 179.01 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER 176.87 116.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.9 t -108.92 116.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' CD2' ' HB ' ' A' ' 7' ' ' VAL . 3.4 mm? -102.75 127.4 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -144.23 168.96 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 178.19 122.92 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.708 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.0 -154.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.5 mmt-85 -87.25 -88.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.47 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -44.61 -23.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 108.269 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.4 m-85 63.38 -79.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.559 ' O ' ' O ' ' A' ' 68' ' ' TYR . 12.0 ttm -29.28 -99.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.58 -32.31 73.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.553 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 1.7 mt-10 -60.4 -38.64 84.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.882 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.0 t -71.85 -47.05 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -50.4 -49.14 39.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 1.079 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.85 -38.15 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.3 mm-40 -60.26 -44.98 94.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.676 ' O ' ' N ' ' A' ' 80' ' ' ALA . 57.9 mt -69.18 -51.13 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.6 -61.9 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 1.079 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.03 -40.56 67.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.96 -50.95 60.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -74.45 -16.9 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -78.18 0.39 25.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p 51.33 46.21 26.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.382 1.051 . . . . 0.0 110.064 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 86' ' ' ALA . 53.2 t -119.05 165.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -82.75 155.78 68.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.445 ' HG3' ' HB3' ' A' ' 128' ' ' LYS . 18.1 Cg_endo -75.03 -19.35 17.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.51 -5.14 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 6' ' ' LEU . 73.3 m-20 -106.63 -18.64 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 80' ' ' ALA . 40.7 mt -88.75 137.42 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.494 ' CD1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 117.63 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.8 p -102.72 124.81 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.512 ' CG1' ' HA2' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -102.91 146.8 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.578 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 9.2 t-160 -158.93 -171.88 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.489 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.2 p-10 -85.65 138.53 32.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.659 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.3 t0 -121.18 116.39 24.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -79.61 49.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.57 -71.81 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.674 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 5.5 tp -132.97 -132.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER -88.61 165.66 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -74.82 131.96 41.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.445 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 134.24 8.15 2.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.507 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 4.1 mmm-85 -134.47 166.33 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.525 HG23 ' CD1' ' A' ' 165' ' ' ILE . 1.1 pp -123.64 160.84 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.96 88.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.52 139.98 38.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.219 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -150.38 -171.95 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.492 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.6 tp -129.13 -87.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.492 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -79.98 52.68 4.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.47 1.106 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -78.02 -110.01 0.18 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 174.13 118.81 0.52 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.476 ' N ' HH12 ' A' ' 132' ' ' ARG . 0.3 OUTLIER -45.77 -65.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.796 . . . . 0.0 110.302 -179.925 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.94 -107.15 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -110.17 68.87 0.21 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -142.53 118.51 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -70.68 -40.63 72.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -65.28 -60.78 6.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.102 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.68 -48.28 69.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.355 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -59.12 -34.72 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.403 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t -70.81 -30.74 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.451 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.6 t -70.75 -43.12 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 126' ' ' GLY . 5.1 t -73.46 -27.89 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.22 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -75.78 -44.11 43.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.56 -21.42 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.96 8.17 82.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.579 1.174 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.502 ' OG1' ' CG1' ' A' ' 122' ' ' VAL . 0.5 OUTLIER 72.26 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 110.388 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.501 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -163.02 25.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.6 OUTLIER 80.36 101.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.511 ' CE2' ' CG2' ' A' ' 122' ' ' VAL . 5.7 p90 -133.87 176.67 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.443 ' CG ' HD13 ' A' ' 108' ' ' ILE . 84.1 mt-30 -111.56 154.46 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.476 HH12 ' N ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -144.26 149.35 36.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 23.0 t -133.34 87.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.7 mtp180 -95.43 127.16 41.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.659 ' O ' ' N ' ' A' ' 96' ' ' ASP . 4.9 mp -88.93 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.502 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -84.71 89.67 1.6 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -115.0 102.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.674 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.48 67.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.32 -31.64 58.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.466 ' CG1' HD13 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -68.13 -37.25 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.486 ' CD1' ' CD ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -99.21 43.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.553 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 2.1 tt0 -81.91 -97.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 110.385 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.611 ' C ' ' H ' ' A' ' 155' ' ' THR . 18.4 t30 164.66 48.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.861 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.609 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -68.98 28.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.611 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -28.11 -50.83 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.5 Cg_endo -74.9 -62.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.588 ' HB1' ' CD2' ' A' ' 154' ' ' PHE . . . -50.39 -45.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 154' ' ' PHE . 17.3 tt0 -71.76 -30.41 65.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.83 -43.92 90.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.14 -34.38 56.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.587 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 3.8 mm-40 -75.25 -37.76 60.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.608 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.2 t -53.3 -50.68 81.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -26.22 11.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.581 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 8.2 m -65.89 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.587 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.01 -53.18 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 170' ' ' ALA . 46.7 t -46.1 -48.05 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.8 tt0 -57.78 -46.74 84.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.498 ' O ' ' CG2' ' A' ' 188' ' ' VAL . 27.2 mm-40 -64.09 -47.79 78.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.87 80.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.93 -43.07 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -67.05 -46.27 74.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.44 ' HA ' ' CB ' ' A' ' 184' ' ' ALA . . . -58.21 -45.81 86.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.5 m -66.17 -50.49 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -57.84 -47.32 83.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.51 -39.48 88.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.525 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.1 tt -51.09 -51.33 54.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 58' ' ' ARG . 31.6 mt -75.04 -24.47 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.48 -43.15 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -71.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -153.5 172.39 32.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -16.4 27.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.4 mt-10 -51.95 -46.31 92.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.0 -38.3 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.422 1.748 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.31 -39.79 92.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.522 ' HA ' ' CB ' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.14 -38.47 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.58 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 58.0 t30 -81.67 -18.78 43.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.2 ttt180 -95.72 -54.4 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.653 ' C ' ' H ' ' A' ' 190' ' ' ALA . 50.1 t -90.04 -58.01 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.522 ' CB ' ' HA ' ' A' ' 185' ' ' GLN . 22.4 t-80 -68.13 22.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.653 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -105.93 -41.47 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.46 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -125.18 166.31 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.226 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.479 ' HG ' ' CG1' ' A' ' 61' ' ' VAL . 1.5 tt -117.41 144.6 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.473 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 23.7 t -127.88 143.46 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.31 124.72 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.403 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -103.76 111.44 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.595 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -90.76 104.48 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.475 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.47 -148.19 10.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 18' ' ' ALA . 3.5 t-20 -135.46 118.8 12.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -12.1 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . -59.1 -116.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 166.82 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -47.98 -35.83 11.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.411 ' O ' ' OG1' ' A' ' 20' ' ' THR . 0.2 OUTLIER -94.03 -20.24 20.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.922 -179.924 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . . . -71.43 -32.34 68.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 21' ' ' ARG . 2.1 mpt_? -50.37 -36.26 31.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.637 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 34.8 p -61.92 -2.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.49 179.911 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.637 ' CB ' ' O ' ' A' ' 20' ' ' THR . 1.6 tpp180 95.96 11.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.469 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -67.58 9.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.577 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.566 ' H ' ' C ' ' A' ' 21' ' ' ARG . 64.4 t30 -126.94 34.63 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -59.81 -43.79 94.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -50.81 -56.75 12.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.0 t80 -76.46 -25.34 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 4.4 t -71.23 -42.83 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.45 ' CG1' HD13 ' A' ' 93' ' ' ILE . 1.6 t -70.71 -51.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.04 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.1 m-20 -66.33 -48.26 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.513 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.65 -58.62 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -59.47 -29.36 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.62 ' CB ' ' CE1' ' A' ' 40' ' ' PHE . . . -77.48 -25.18 50.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.96 -27.07 36.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.61 1.194 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.02 -42.81 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -44.05 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.45 -8.04 80.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.82 146.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.97 85.23 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.767 ' CD2' ' CB ' ' A' ' 51' ' ' ALA . 58.6 m-85 -62.57 -173.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -155.31 -169.37 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -167.74 122.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.467 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -119.81 -174.61 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.07 -179.8 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 69.47 -72.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.478 ' CB ' HD23 ' A' ' 79' ' ' LEU . 6.4 p -150.53 33.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -107.1 -57.83 0.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' A' ' 42' ' ' ALA . . . 47.2 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.373 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.34 137.7 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.568 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -174.37 166.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.767 ' CB ' ' CD2' ' A' ' 40' ' ' PHE . . . -171.52 126.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.41 150.69 25.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -139.93 129.77 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.587 1.179 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.26 99.03 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 57' ' ' GLY . 65.6 p -169.08 -160.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.928 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.79 27.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.14 48.56 78.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 172.13 154.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 0.716 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -79.92 177.06 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 173.96 123.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t -106.93 115.95 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.568 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 2.2 mm? -93.52 120.79 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -127.99 167.02 17.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 178.66 115.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.655 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 68' ' ' TYR . 24.2 mmt85 -83.55 -84.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -46.39 -20.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.71 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.8 m-85 63.12 -78.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' TYR . 1.5 ttp -38.6 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -60.92 -31.91 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.03 -47.1 86.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.71 ' N ' ' O ' ' A' ' 68' ' ' TYR . 43.9 t -64.24 -53.45 48.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.22 -52.14 7.22 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.18 -47.15 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 0.803 . . . . 0.0 110.264 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.4 mm-40 -48.91 -48.86 42.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.32 -47.95 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.92 -68.34 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.04 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.87 -40.14 66.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.46 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -15.97 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.672 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -76.32 -44.02 38.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.41 3.87 22.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.3 t 51.16 45.38 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.45 151.02 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 157.69 63.96 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.52 ' CG ' ' HB3' ' A' ' 128' ' ' LYS . 18.0 Cg_endo -74.96 -17.1 19.92 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.21 -8.65 33.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.615 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 13.9 m-20 -114.65 -14.58 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 67.6 mt -89.15 121.9 39.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.577 HG23 ' CD1' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -125.34 119.16 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.5 p -101.37 121.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.529 ' CG2' ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -100.81 142.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.595 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.9 t-160 -157.44 -178.18 7.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.675 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.481 ' CB ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 p30 -107.41 140.12 40.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 135' ' ' ILE . 11.7 t0 -145.76 152.74 40.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.63 115.22 23.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.46 -83.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.527 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 2.8 mt -129.67 -81.73 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.1 mp0 -94.06 173.09 7.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -96.65 31.52 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.473 ' CA ' ' HG3' ' A' ' 161' ' ' GLU . . . -150.44 45.13 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.59 157.58 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.277 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 0.9 OUTLIER -123.31 159.55 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -147.63 108.6 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.344 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.61 ' HB3' ' CG2' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -112.73 140.78 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.12 -174.98 4.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.52 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.1 tp -119.35 -85.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.52 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -118.81 67.5 0.37 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.32 -97.39 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.614 ' N ' HH12 ' A' ' 132' ' ' ARG . . . -157.54 132.02 3.07 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -46.62 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 0.715 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.86 78.35 1.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 41.02 83.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.534 ' CE1' ' CE1' ' A' ' 94' ' ' HIS . 1.0 OUTLIER -167.43 110.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 0.702 . . . . 0.0 109.561 -179.923 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.405 ' CB ' ' HE1' ' A' ' 69' ' ' MET . 79.2 m-20 -63.1 -33.89 76.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.32 -63.53 5.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.404 ' O ' HG21 ' A' ' 122' ' ' VAL . 4.6 mt -54.59 -50.87 67.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -35.01 68.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 m -68.01 -34.33 76.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.474 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 46.1 t -71.23 -41.46 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 126' ' ' GLY . 10.6 t -70.03 -29.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.71 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -80.58 -47.13 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.6 mt -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.883 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.92 4.05 65.9 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.663 ' OG1' ' CE2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER 73.76 139.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 0.0 110.452 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.9 OUTLIER -169.0 28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 11.6 t0 86.47 22.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.663 ' CE2' ' OG1' ' A' ' 127' ' ' THR . 0.1 OUTLIER -52.04 174.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.503 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 58.7 mt-30 -119.21 150.7 39.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.216 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.614 HH12 ' N ' ' A' ' 111' ' ' GLY . 0.1 OUTLIER -138.94 151.18 46.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.61 ' CG2' ' HB3' ' A' ' 106' ' ' LEU . 10.8 t -136.68 80.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.2 mpp_? -88.91 144.71 26.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 4.2 mp -98.32 150.51 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.495 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -95.05 101.23 2.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.657 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.61 103.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.527 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.86 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.43 -29.01 64.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.581 ' CG2' ' CG1' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -73.88 -32.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 39.2 mt -94.65 30.45 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 6.9 mm-40 -83.57 -100.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.649 ' C ' ' H ' ' A' ' 155' ' ' THR . 19.2 t30 160.02 57.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.687 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.2 OUTLIER -65.97 27.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.65 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -11.93 -55.65 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.655 1.222 . . . . 0.0 110.423 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.776 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.81 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.646 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -40.42 -29.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.512 ' CG ' ' CZ ' ' A' ' 101' ' ' PHE . 7.6 mt-10 -80.94 -42.56 21.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.027 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.44 -32.39 62.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -75.03 -41.02 60.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.59 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 9.0 tp10 -78.05 -35.37 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.532 ' O ' ' SG ' ' A' ' 166' ' ' CYS . 1.2 t -49.51 -52.5 49.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.027 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.91 -33.01 5.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.59 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 18.2 m -55.32 -53.28 58.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.19 . . . . 0.0 110.409 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.545 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.06 -52.08 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 170' ' ' ALA . 56.0 m -45.84 -48.27 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 108.298 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -64.79 -48.67 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.646 ' HB3' ' CZ2' ' A' ' 191' ' ' TRP . 0.6 OUTLIER -63.27 -47.81 80.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -68.94 -35.57 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -55.56 -48.13 75.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -67.62 -42.05 82.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.592 1.182 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.631 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -64.38 -35.73 81.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.6 m -64.07 -50.62 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -56.98 -47.01 81.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.511 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.6 OUTLIER -63.13 -35.44 80.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.531 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.3 tt -56.87 -51.14 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.3 -27.09 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 174' ' ' GLU . 0.1 OUTLIER -59.53 -72.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -75.25 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.236 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -160.66 -170.61 25.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.426 ' HA ' ' HB2' ' A' ' 184' ' ' ALA . 25.0 ptt? -89.43 -12.66 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.539 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -50.81 -49.24 80.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -74.96 -37.22 2.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.398 1.736 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.54 -44.32 87.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.8 tt0 -67.34 -37.09 82.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.5 t-20 -81.91 -24.4 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.55 -57.87 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.352 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.779 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -65.31 -55.0 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -70.09 -13.87 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -139.62 93.53 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.378 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.646 ' CZ2' ' HB3' ' A' ' 168' ' ' GLN . 20.0 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.999 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.419 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.7 Cg_endo -74.95 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.486 1.782 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 1.1 mt -136.76 142.84 43.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -111.44 142.28 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.606 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 1.2 m -126.29 143.63 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.06 122.19 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.75 108.18 3.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.625 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -89.58 94.13 9.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.402 0.707 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 68' ' ' TYR . . . -116.3 -149.63 9.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 22' ' ' HIS . 24.6 t-20 -136.61 127.16 16.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.03 -24.92 12.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.72 178.61 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -131.21 -179.0 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 m120 56.17 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.566 ' CE1' HD22 ' A' ' 151' ' ' LEU . 4.1 t80 -68.39 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.37 -40.75 42.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.1 tpt180 -51.38 -47.01 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.674 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 63.5 p -24.83 -45.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.674 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.63 -15.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -54.27 -4.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.592 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 1.7 t-20 -111.29 35.89 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 135' ' ' ILE . 0.5 OUTLIER -65.17 -67.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -34.74 -60.36 0.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 4.1 t80 -63.93 -35.57 81.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.592 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 2.0 t -59.67 -42.03 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 93' ' ' ILE . 26.5 t -71.09 -50.22 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -57.74 -45.71 85.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.4 t0 -59.15 -43.49 92.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.522 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -59.22 -62.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -58.5 -30.53 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.662 ' CB ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.53 -24.52 53.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -29.43 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -43.44 16.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -48.34 66.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.34 -8.85 79.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.74 144.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -90.42 61.15 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.754 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 40.0 m-85 -34.41 152.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -115.54 178.42 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.336 179.922 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.44 96.5 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 2.8 t60 179.82 -146.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.13 . . . . 0.0 109.647 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 87.64 161.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -27.87 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.046 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.437 ' CB ' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -82.14 -23.63 35.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 58.98 70.1 1.09 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -152.82 177.72 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 1.5 tp10 -89.47 149.32 22.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.561 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 10.5 p -175.01 158.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.754 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -163.67 128.91 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.34 126.76 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -114.32 107.47 1.85 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.64 107.76 17.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.51 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.22 -155.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.8 27.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.49 40.44 98.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.147 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.51 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 176.7 157.22 0.29 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 0.743 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -81.45 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -167.12 120.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.424 HG11 ' CD1' ' A' ' 6' ' ' LEU . 37.2 t -101.0 110.73 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.606 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -91.97 116.89 29.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.45 161.61 28.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.87 110.46 0.24 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.653 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.03 -158.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.509 ' C ' ' N ' ' A' ' 68' ' ' TYR . 35.3 mmt180 -84.92 -85.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.5 OUTLIER -44.39 -22.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 108.288 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 63.13 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' TYR . 62.6 ttp -36.47 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -57.61 -38.38 74.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.729 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.9 t -73.34 -55.78 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.54 -52.05 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.957 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.18 -48.18 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 1.9 tt0 -42.74 -51.29 5.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 5.7 mt -67.21 -44.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.86 -69.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.957 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -52.88 -39.38 62.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.757 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.89 -48.67 62.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.212 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -15.24 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -76.95 -45.11 28.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.527 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 16.6 m-85 -84.99 -10.93 56.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t 54.1 50.3 16.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.527 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 2.2 t -95.98 173.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.56 153.6 70.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.99 -34.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.19 2.61 6.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 6' ' ' LEU . 57.2 m-20 -103.05 -22.03 13.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 47.4 mt -86.8 133.25 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.403 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -135.96 119.24 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 132' ' ' ARG . 7.3 p -108.12 123.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -103.65 146.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.625 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.8 t-160 -152.93 -177.1 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.486 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 4.7 p-10 -110.24 141.42 43.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -149.33 157.41 43.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.49 113.25 25.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -110.75 -70.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.561 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -136.29 -88.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 138' ' ' GLY . 35.8 mp0 -94.44 175.51 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.575 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -92.97 59.07 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.068 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.483 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -178.19 40.63 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.573 1.17 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.573 ' HG3' ' N ' ' A' ' 104' ' ' ILE . 3.2 tpp85 -133.26 158.83 41.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.573 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -122.98 160.13 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.8 OUTLIER -148.02 108.33 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.22 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.66 139.23 42.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -153.15 -178.78 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.553 HG13 ' N ' ' A' ' 109' ' ' GLY . 2.2 tp -97.45 -90.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.553 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -140.49 51.3 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.602 1.188 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -102.81 49.72 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.6 -118.42 0.59 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.428 ' CD ' ' CZ ' ' A' ' 132' ' ' ARG . 2.5 mt-10 73.32 72.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -81.21 56.46 4.86 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 15.2 m80 -157.67 105.31 2.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 0.723 . . . . 0.0 109.585 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.63 -44.07 80.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.47 -62.95 5.74 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 9.7 mt -51.78 -45.38 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.223 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' HG11 ' A' ' 122' ' ' VAL . 1.7 mtt180 -58.65 -34.63 71.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 41.4 t -73.89 -30.23 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.493 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.2 t -69.8 -44.41 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.63 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.34 -39.95 83.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.422 ' N ' HG11 ' A' ' 122' ' ' VAL . . . -74.14 -35.25 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -75.97 -51.5 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.694 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 16.0 mt -80.13 -21.45 43.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.63 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 83.7 0.22 89.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 86.04 121.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.72 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.1 mmtt -163.01 24.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.72 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 73.5 m-20 103.53 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 32.1 m-85 53.7 149.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -107.66 159.61 16.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.428 ' CZ ' ' CD ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -139.2 148.69 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 16.8 t -130.77 86.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.504 ' C ' ' HG3' ' A' ' 105' ' ' ARG . 3.8 mpp_? -86.3 163.49 17.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.542 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 2.7 mp -112.36 152.78 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -102.76 87.62 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.633 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.23 99.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.386 0.697 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.561 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.576 1.172 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.5 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.93 -29.9 61.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -63.55 -33.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 17' ' ' TYR . 11.6 mt -108.05 31.29 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 153' ' ' ASN . 3.5 tp10 -68.81 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.603 ' C ' ' H ' ' A' ' 155' ' ' THR . 14.3 t-20 167.02 50.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.731 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.4 OUTLIER -67.97 30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.98 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.67 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -9.4 -56.28 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.757 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.95 -80.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.617 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -41.92 -28.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.519 ' OE2' ' CE2' ' A' ' 101' ' ' PHE . 4.4 mt-10 -80.12 -42.42 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -75.5 -31.91 60.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.484 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -74.52 -41.31 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.611 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 1.8 mm-40 -77.81 -36.39 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.521 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 1.2 t -48.33 -51.09 53.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 160' ' ' ALA . 54.4 m -53.79 -53.59 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.611 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -77.15 -45.33 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.522 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 13.6 m -50.86 -53.35 33.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 3.2 pt-20 -59.5 -47.19 86.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -60.58 -48.12 83.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.954 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -68.06 -36.52 79.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.64 -43.78 76.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 t0 -67.94 -45.48 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.548 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -60.15 -36.63 77.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.4 m -64.73 -52.73 55.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.651 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.29 -35.35 67.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.651 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -72.98 -41.36 64.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.439 ' HA ' ' C ' ' A' ' 180' ' ' GLY . 4.1 tt -53.38 -42.48 66.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 51.7 mt -77.82 -30.67 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.34 -32.36 73.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -159.6 -71.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.439 ' C ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.92 175.11 35.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -88.39 -16.6 32.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 111.034 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -46.81 -48.53 50.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -74.98 -39.88 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.44 -36.92 85.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.38 -40.12 67.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.226 -179.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.1 t-20 -79.43 -20.48 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.54 -53.01 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.635 ' C ' ' H ' ' A' ' 190' ' ' ALA . 46.5 t -88.87 -57.57 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.2 t-80 -70.29 22.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.635 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -90.86 -31.57 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.521 ' CZ2' ' HD3' ' A' ' 103' ' ' ARG . 3.3 p-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 18.5 Cg_endo -74.99 -175.95 2.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.083 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -122.77 125.94 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -111.77 138.61 48.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.44 143.83 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.97 116.88 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 64' ' ' LYS . . . -89.52 107.32 3.39 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.502 1.126 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -95.57 105.24 17.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -118.09 -147.34 8.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 14' ' ' GLY . 21.6 t-20 -137.38 123.53 13.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.0 -25.26 12.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -58.42 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.64 -76.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -42.68 -45.87 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.504 ' CE2' HD22 ' A' ' 151' ' ' LEU . 19.6 t80 -89.48 -19.45 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.73 -28.74 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 21' ' ' ARG . 15.8 mmt85 -58.16 -13.49 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 17' ' ' TYR . 50.5 p -75.82 22.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.553 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 65.06 8.85 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.568 ' CE1' ' NE2' ' A' ' 94' ' ' HIS . 34.2 t-80 -69.2 11.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.635 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.553 ' H ' ' C ' ' A' ' 21' ' ' ARG . 24.1 t-20 -111.11 -0.16 16.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -34.3 -59.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -35.84 -58.99 0.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CE2' ' OD2' ' A' ' 30' ' ' ASP . 30.5 t80 -80.79 -30.97 35.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.756 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -60.9 -47.28 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.36 -51.25 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -55.17 -35.25 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.623 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 57.3 m-20 -71.04 -56.0 7.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.37 -52.62 63.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.35 -34.65 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -73.47 -54.87 7.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 -23.34 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 5.5 mpt_? -90.88 -57.1 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.544 ' HG ' ' H ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -60.61 -17.3 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.8 -5.46 82.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.544 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -32.56 144.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 0.732 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 52.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.68 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.35 -164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.12 -162.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -124.44 106.26 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.3 110.11 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.59 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -63.09 -53.52 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -45.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.462 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -60.31 -29.57 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.03 70.46 1.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' HIS . . . 174.38 175.91 0.16 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.459 0.74 . . . . 0.0 109.398 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 1.8 mt-10 -85.21 145.96 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.11 118.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.68 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -114.08 110.73 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.35 124.95 40.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 -159.25 8.18 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.8 mtp180 -158.67 130.81 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -175.46 -170.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.11 27.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 67.02 51.02 42.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' CD ' ' HA ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 164.32 156.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 110.349 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.488 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -52.2 165.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.4 pp -143.59 113.01 6.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.502 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 25.9 t -106.54 102.52 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -106.85 104.62 14.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . -120.48 173.54 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER 179.52 123.17 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.732 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -160.99 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.508 ' C ' ' N ' ' A' ' 68' ' ' TYR . 57.2 mmt-85 -79.43 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.448 ' CB ' ' OE1' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -44.14 -23.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.96 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.732 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.4 m-85 63.19 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.511 ' CG ' ' HA3' ' A' ' 117' ' ' GLY . 10.5 ttt -35.82 -93.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.667 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.7 t-20 -61.51 -41.43 97.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -50.65 -48.8 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 68' ' ' TYR . 35.9 t -61.07 -52.38 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.636 ' HA2' ' HA ' ' A' ' 121' ' ' VAL . . . -40.47 -51.1 3.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.926 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.05 -56.63 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.643 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -39.68 -49.49 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.763 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -68.76 -45.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 179.924 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.926 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.07 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -52.58 -39.78 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.763 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.33 -51.0 49.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -15.79 60.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -75.8 -43.45 46.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.95 -10.69 59.89 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.7 t 50.92 45.97 26.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG22 ' ND2' ' A' ' 89' ' ' ASN . 4.4 p -105.09 169.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.562 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.35 149.0 51.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.705 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.06 -12.66 21.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.56 -18.87 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.755 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -103.39 -11.77 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.608 ' CG2' ' CD2' ' A' ' 130' ' ' PHE . 0.7 OUTLIER -95.96 131.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.942 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.519 HG13 ' CD1' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -137.49 141.9 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.485 ' C ' HD12 ' A' ' 93' ' ' ILE . 22.0 t -113.51 131.19 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 133' ' ' VAL . 0.4 OUTLIER -103.44 138.91 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.568 ' NE2' ' CE1' ' A' ' 22' ' ' HIS . 5.5 t-160 -159.83 172.13 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.57 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.45 141.73 44.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 13.5 t0 -141.96 151.85 42.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.408 ' HA ' ' N ' ' A' ' 138' ' ' GLY . 0.8 OUTLIER -102.51 103.93 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.413 ' C ' ' HA3' ' A' ' 138' ' ' GLY . 0.6 OUTLIER -106.21 -82.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.461 ' N ' ' HA3' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -137.83 -44.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.0 OUTLIER -87.39 125.66 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.25 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CD1' HG13 ' A' ' 137' ' ' ILE . 1.5 t80 -90.96 33.62 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.5 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -178.79 49.22 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.672 ' NH2' ' CD1' ' A' ' 191' ' ' TRP . 21.7 mmt-85 -135.95 173.65 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.5 pp -123.82 156.27 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -145.92 113.44 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -120.27 127.86 52.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 166.4 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 109.277 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -94.68 -55.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.34 60.63 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.26 88.52 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.94 -150.97 9.57 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.21 67.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.97 -49.76 26.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 176.12 66.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.463 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -118.84 147.31 44.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.547 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 120' ' ' SER . 6.2 m-20 -55.34 -63.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.511 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -56.74 -52.67 49.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.602 ' O ' HG11 ' A' ' 121' ' ' VAL . 11.9 mt -52.1 -50.58 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.386 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -67.96 -33.56 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.438 ' O ' ' HB1' ' A' ' 124' ' ' ALA . 33.5 t -72.51 -28.27 62.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.636 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.12 -43.18 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 126' ' ' GLY . 89.7 t -70.38 -30.62 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.8 -35.88 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -82.56 -43.25 17.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.651 ' CD1' ' CE2' ' A' ' 130' ' ' PHE . 20.8 mt -79.61 -24.79 41.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 70.77 5.84 58.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.568 1.167 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.535 ' O ' ' CD ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER 56.83 158.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 110.404 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 5.7 tptt 170.14 35.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.626 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.9 t70 92.31 19.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.705 ' CE1' ' HB3' ' A' ' 87' ' ' PRO . 28.3 m-85 -54.37 166.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 75.4 mt-30 -109.89 154.65 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.55 147.4 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.585 ' HB ' HD12 ' A' ' 93' ' ' ILE . 58.5 t -135.41 83.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -90.53 144.06 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 4.8 mp -95.52 149.46 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.502 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -93.67 107.18 3.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.614 ' CG2' ' O ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -116.6 19.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.461 ' HA3' ' N ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.17 91.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -77.28 -27.71 53.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.16 -30.74 47.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.374 179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.504 HD22 ' CE2' ' A' ' 17' ' ' TYR . 13.7 mt -83.24 7.86 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 4.9 tp10 -109.65 -117.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 6.0 t-20 152.08 144.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.761 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.0 OUTLIER -79.03 39.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.68 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -6.42 -58.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.761 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -78.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.707 ' HB1' ' CD2' ' A' ' 154' ' ' PHE . . . -44.34 -29.67 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.647 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -78.47 -37.35 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.002 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -57.93 -45.67 86.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.77 -33.85 52.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.655 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 78.9 mt-10 -75.08 -38.28 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -52.47 -52.78 60.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.002 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.93 -26.45 11.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.655 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.6 m -64.58 -58.05 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.582 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -69.0 -54.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.231 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 61.5 m -43.61 -44.0 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.06 -42.4 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.409 ' O ' HG23 ' A' ' 188' ' ' VAL . 0.1 OUTLIER -67.35 -46.87 72.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.42 82.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -68.02 -43.94 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.22 -42.66 86.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.39 -52.22 54.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -56.68 -48.27 78.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -63.13 -37.97 89.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.455 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 3.6 tt -55.64 -44.62 77.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 9.2 mt -73.55 -27.84 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.94 -41.84 97.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -150.76 -71.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -155.96 176.33 33.47 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.41 ' HB3' ' HG ' ' A' ' 176' ' ' LEU . 8.1 ptp -89.14 -15.38 33.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.0 OUTLIER -46.41 -48.12 46.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.93 -39.1 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.52 -38.34 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.599 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.32 -39.56 65.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.507 ' C ' ' HB1' ' A' ' 190' ' ' ALA . 35.1 m-20 -79.54 -19.54 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.61 -53.17 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 184' ' ' ALA . 18.9 t -87.19 -66.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.599 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.8 t-80 -53.48 -12.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.672 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.507 ' HB1' ' C ' ' A' ' 186' ' ' ASN . . . -117.45 67.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.672 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 19.4 m-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 152.5 40.97 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.59 126.97 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.702 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -104.33 143.74 32.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.498 ' CG1' HG13 ' A' ' 91' ' ' ILE . 3.7 m -131.32 140.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -135.45 120.4 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.41 110.39 3.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.588 1.18 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.44 98.55 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.67 -148.54 8.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 22' ' ' HIS . 20.9 t-20 -129.81 119.83 19.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.02 150.72 38.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.763 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 43.3 -164.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.408 1.067 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.6 104.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 0.781 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -56.39 -17.83 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 151' ' ' LEU . 10.7 t80 -68.05 -17.59 64.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -71.09 -36.36 72.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.0 tpt85 -44.88 -44.48 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 62.8 p -34.12 -34.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.618 ' C ' ' H ' ' A' ' 23' ' ' ASN . 2.2 mtt-85 155.89 -16.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' HD22 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -58.3 0.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.618 ' H ' ' C ' ' A' ' 21' ' ' ARG . 5.7 t-20 -117.36 30.14 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.601 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -58.44 -55.92 28.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -37.46 -64.83 0.68 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.067 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' ASP . 6.1 t80 -69.76 -31.15 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.796 . . . . 0.0 111.021 179.93 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.601 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 2.3 t -60.82 -41.17 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.405 ' HB ' ' CD1' ' A' ' 93' ' ' ILE . 9.0 t -73.02 -51.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.6 69.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.3 m-20 -68.55 -49.53 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.21 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.516 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.36 -56.33 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.92 -55.83 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.91 -20.1 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.22 -29.59 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -42.68 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -20.92 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.4 55.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.39 1.056 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.82 174.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 61.3 1.62 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.632 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.1 -162.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -155.28 -165.41 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -166.71 142.47 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' ALA . 6.0 t-80 -136.11 179.06 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.42 -165.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.2 tpm_? 34.65 -139.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.547 ' CB ' HD22 ' A' ' 79' ' ' LEU . 84.7 p -72.53 52.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -128.99 -66.32 0.11 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' HIS . . . 43.83 -170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.614 0.832 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -72.09 143.25 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.475 HG11 ' CB ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -160.95 133.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.632 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -136.77 121.93 19.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 126.31 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.36 134.33 5.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 3.5 mtp180 -111.79 110.86 21.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 0.812 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 3.9 m -164.98 -176.89 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.49 17.63 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.259 179.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.16 38.86 38.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 tpm_? 177.22 158.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 1.6 t -74.46 168.82 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.1 pp -152.63 115.79 4.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.505 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 73.4 t -108.15 91.52 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' ALA . 1.1 tm? -86.22 110.93 19.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -126.1 173.98 8.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 1.4 pttp 173.14 119.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.601 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.13 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.1 mmt180 -80.08 -85.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -47.79 -15.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 108.338 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.635 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.5 m-85 60.3 -82.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.47 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 36.3 ttp -39.27 -90.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.689 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 26.3 m-20 -60.21 -44.45 95.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -48.88 -42.99 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.635 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.5 m -64.7 -54.8 25.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.624 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.3 -52.38 3.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.609 1.193 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.62 -54.63 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.1 mm-40 -43.01 -48.65 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.728 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.4 mt -68.0 -44.16 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.4 -67.54 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.92 -47.34 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.65 -42.18 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.728 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.78 -49.61 65.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -16.42 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.731 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.1 t80 -75.98 -37.56 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -77.06 -9.53 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.6 p 48.55 45.25 21.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.62 173.23 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -79.7 129.59 70.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 129' ' ' ASP . 18.0 Cg_endo -74.98 -1.17 10.87 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.71 -8.94 47.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 6' ' ' LEU . 9.6 p30 -101.79 -10.69 19.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.427 ' CG1' ' HB3' ' A' ' 6' ' ' LEU . 18.3 mt -85.76 134.65 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 131' ' ' GLN . 0.4 OUTLIER -136.26 115.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 8.8 p -100.63 129.97 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.245 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.578 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -107.13 145.76 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.573 ' CD2' HD13 ' A' ' 10' ' ' LEU . 7.9 t-160 -153.65 169.08 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.448 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p30 -104.93 143.7 32.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 135' ' ' ILE . 4.4 t0 -151.64 166.49 31.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.5 ' HB3' ' CG2' ' A' ' 150' ' ' VAL . 0.9 OUTLIER -98.66 114.02 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -108.39 -84.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.43 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -138.16 -73.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -91.53 165.55 13.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -95.27 123.92 39.04 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 165' ' ' ILE . . . 98.61 52.7 1.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -135.26 126.97 29.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.461 HG21 ' CG1' ' A' ' 135' ' ' ILE . 1.1 pp -102.12 153.07 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -147.76 115.69 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.63 138.0 41.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -149.54 179.5 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.509 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.4 tp -129.79 -87.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.509 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -61.83 -79.7 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -56.04 94.9 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . -170.07 -149.37 6.32 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 43.91 64.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.92 -95.81 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -125.49 80.19 0.36 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.46 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 77.4 m-70 -137.79 126.13 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.23 -44.86 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.46 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -62.72 -58.66 11.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.634 ' O ' HG12 ' A' ' 121' ' ' VAL . 12.4 mt -52.16 -46.83 65.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.515 ' O ' HG11 ' A' ' 122' ' ' VAL . 5.9 ttt180 -62.08 -32.31 72.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 7.8 t -74.1 -27.4 60.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -72.92 -43.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.571 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.41 -44.86 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.421 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.82 -35.85 72.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.23 -45.02 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.569 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -81.0 -22.26 39.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.81 4.54 76.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 77.72 122.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 21.1 tptt -167.84 30.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.5 m-20 88.36 117.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 43.0 p90 -167.56 160.18 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.512 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -130.11 166.59 19.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.412 ' NH1' ' HA3' ' A' ' 111' ' ' GLY . 0.7 OUTLIER -147.03 150.29 34.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 6.6 t -119.19 89.52 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.356 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 7.2 mtp180 -85.92 163.08 18.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 94' ' ' HIS . 2.0 mp -122.09 142.67 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.95 91.8 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.606 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -104.5 102.66 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' A' ' 101' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.85 82.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -25.07 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.67 -43.24 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -110.7 35.16 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.594 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.0 OUTLIER -56.38 -81.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.643 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.3 t-20 148.69 50.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.61 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -66.65 27.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.643 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.76 -51.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.457 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.502 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.05 -71.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.61 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -45.15 -42.62 9.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.677 ' O ' ' N ' ' A' ' 162' ' ' VAL . 20.3 mt-10 -73.59 -30.91 63.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 1.038 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.04 -38.96 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -79.13 -36.23 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.391 179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.542 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 1.8 mm-40 -77.93 -33.9 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -55.69 -53.15 65.86 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 1.038 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -31.11 6.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.542 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -69.84 -49.55 51.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.576 ' CG2' ' N ' ' A' ' 166' ' ' CYS . 5.3 tp -72.85 -58.95 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.576 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 87.5 m -44.61 -47.76 10.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.0 tt0 -58.59 -47.76 83.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.603 ' CG ' ' CH2' ' A' ' 191' ' ' TRP . 1.1 tp60 -65.19 -42.68 93.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.65 80.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.35 -42.68 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.37 -44.63 78.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.555 ' CB ' HG21 ' A' ' 188' ' ' VAL . . . -58.29 -43.05 87.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.5 m -62.84 -52.19 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -60.08 -44.58 94.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -67.99 -42.79 80.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 3.4 tt -50.2 -48.26 54.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -74.22 -28.27 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.89 -31.23 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -154.84 -72.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -163.75 173.02 39.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.5 1.125 . . . . 0.0 111.085 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.9 ppp? -84.27 -28.0 27.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -38.73 -51.62 3.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.96 -37.74 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.83 -38.53 91.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.626 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.05 -40.74 68.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 52.0 m-20 -78.06 -21.12 51.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -95.58 -52.37 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.653 ' C ' ' H ' ' A' ' 190' ' ' ALA . 41.8 t -89.11 -57.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.626 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 17.5 t-80 -67.16 21.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.653 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -140.15 78.63 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.603 ' CH2' ' CG ' ' A' ' 168' ' ' GLN . 14.0 m95 . . . . . 0 C--N 1.324 -0.51 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.5 Cg_endo -74.94 166.2 29.74 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' CD ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -121.49 135.97 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -108.85 144.34 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.534 ' CG1' HG13 ' A' ' 91' ' ' ILE . 1.4 m -131.58 140.96 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.38 125.36 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.01 113.72 4.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.63 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -91.8 117.26 29.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.53 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -135.08 -141.24 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.457 ' N ' ' HA ' ' A' ' 23' ' ' ASN . 1.1 m-20 -137.56 126.56 14.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.91 93.01 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.611 1.848 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 34.0 55.76 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.43 150.58 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.381 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -60.71 -14.65 22.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.493 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER -89.44 -17.99 27.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.0 -25.7 22.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.501 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.9 mmt180 -49.92 -43.24 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 4.2 t -76.58 26.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.59 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 64.95 22.74 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.951 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.413 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.43 6.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.581 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.59 ' H ' ' C ' ' A' ' 21' ' ' ARG . 60.9 t30 -126.43 35.56 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -61.28 -48.67 80.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -47.77 -47.06 24.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.606 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 8.8 t80 -82.83 -31.85 27.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.468 ' CG1' HG12 ' A' ' 162' ' ' VAL . 2.1 t -66.87 -37.74 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 t -78.85 -52.43 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . . . -57.71 -34.88 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 4.2 t70 -74.18 -49.13 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.445 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.63 -18.25 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -82.77 -26.7 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.445 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 6.5 mpt_? -99.38 -42.72 6.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -22.96 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.06 -4.02 82.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -32.05 148.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.7 60.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.46 -156.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -161.81 -161.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -136.79 145.49 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.52 145.06 35.33 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.41 -49.9 7.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.6 mtt180 -38.3 -46.9 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 3.5 m -92.17 -30.62 15.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.95 66.23 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -174.72 -172.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.595 ' OE1' ' CZ ' ' A' ' 40' ' ' PHE . 2.0 mm-40 -112.8 149.48 32.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.486 HG13 ' CB ' ' A' ' 63' ' ' ALA . 34.5 m -148.32 151.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.641 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -145.72 124.37 12.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.03 124.43 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.38 113.84 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -111.44 104.64 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -172.03 -159.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 40.68 29.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.0 48.1 87.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' CD ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER 168.27 154.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 0.748 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -81.46 165.75 20.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.5 pp -154.73 109.28 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.451 ' C ' HG22 ' A' ' 7' ' ' VAL . 39.7 t -102.56 95.24 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -88.28 115.32 25.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.486 ' CB ' HG13 ' A' ' 50' ' ' VAL . . . -125.8 171.35 10.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.21 112.94 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.689 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 -156.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.496 ' C ' ' N ' ' A' ' 68' ' ' TYR . 79.6 mmt-85 -83.17 -84.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -47.96 -18.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.333 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.753 ' O ' ' N ' ' A' ' 72' ' ' SER . 20.2 m-85 60.92 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER -37.5 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.65 -39.73 73.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -56.07 -36.62 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -72.26 -56.78 4.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.607 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.88 -52.1 3.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.46 -48.57 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.613 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.0 tm0? -45.64 -49.63 14.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.784 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.67 -46.68 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.93 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.02 -47.3 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.5 -40.2 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.784 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.06 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -15.38 60.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.96 -45.01 37.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.585 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 14.8 m-85 -82.11 -12.21 58.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.9 p 55.98 52.33 10.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 109.949 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.585 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.9 t -104.58 172.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.436 ' CB ' ' OD1' ' A' ' 89' ' ' ASN . . . -81.66 150.84 67.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.93 -30.43 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.35 2.53 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.589 ' O ' ' N ' ' A' ' 6' ' ' LEU . 17.7 m120 -101.98 -20.56 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.416 ' C ' HG22 ' A' ' 91' ' ' ILE . 7.4 mt -88.99 135.42 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.534 HG13 ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -135.81 122.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 133' ' ' VAL . 10.0 p -104.62 137.05 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.628 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -116.35 147.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.63 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 12.9 t-160 -155.78 164.01 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.511 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -95.92 143.48 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -161.86 155.05 20.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.454 ' CD2' ' CG2' ' A' ' 150' ' ' VAL . 0.6 OUTLIER -87.62 115.72 25.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.423 ' C ' HD21 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -119.45 -65.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 138' ' ' GLY . 4.0 mm? -126.67 -103.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 138' ' ' GLY . 19.6 mp0 -91.61 165.77 13.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' O ' ' CG ' ' A' ' 161' ' ' GLU . 4.0 m-85 -84.79 75.19 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.948 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.669 ' O ' ' CH2' ' A' ' 191' ' ' TRP . . . 159.59 41.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 4.4 tmm_? -134.76 157.23 47.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 0.776 . . . . 0.0 110.244 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 0.9 OUTLIER -121.89 154.9 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 134' ' ' ARG . 5.9 ttt-85 -140.42 111.1 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.72 139.59 40.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.67 167.29 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -107.88 -55.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.521 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.7 64.05 0.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.79 -102.61 0.31 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 173.35 98.52 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -42.58 -30.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.215 -179.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.5 -114.64 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.57 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -116.37 93.78 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 19.1 m-70 -150.6 138.88 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.756 . . . . 0.0 109.621 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.4 m-80 -71.31 -58.77 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.32 -58.08 10.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.636 ' O ' HG11 ' A' ' 121' ' ' VAL . 8.0 mt -54.44 -52.62 61.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 6.3 ttm180 -58.49 -33.11 69.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.45 ' O ' ' HB1' ' A' ' 124' ' ' ALA . 2.7 t -70.18 -29.82 66.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.636 HG11 ' O ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -71.35 -43.2 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 126' ' ' GLY . 12.3 t -68.28 -32.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.55 -43.38 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.08 -45.98 75.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.577 HD13 ' CZ ' ' A' ' 130' ' ' PHE . 16.5 mt -81.31 -21.09 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.08 6.96 81.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 71.89 126.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -162.46 27.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 8.4 m-20 74.45 96.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.577 ' CZ ' HD13 ' A' ' 125' ' ' LEU . 84.3 m-85 -122.71 -177.5 3.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . 0.456 ' CG ' HD13 ' A' ' 108' ' ' ILE . 67.0 mt-30 -115.3 154.56 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 4.6 ttp-105 -138.8 165.43 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 25.2 t -154.21 86.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -90.06 141.69 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 1.7 mp -98.16 142.88 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.49 106.69 3.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.63 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.2 pp -113.11 92.73 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.498 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.82 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -70.74 -28.75 64.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.951 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' A' ' 20' ' ' THR . 0.5 OUTLIER -75.49 -27.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.414 ' HG ' HG13 ' A' ' 150' ' ' VAL . 35.9 mt -98.42 47.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.0 mm-40 -76.52 -108.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 3.0 t-20 150.99 45.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.657 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.17 30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.963 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -13.76 -54.76 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 110.373 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.826 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.03 -78.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.657 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -42.29 -29.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 162' ' ' VAL . 2.9 mm-40 -81.48 -42.32 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -73.41 -32.59 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.422 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -76.2 -40.54 52.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.602 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 32.3 mm-40 -77.92 -35.22 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.525 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 1.4 t -50.37 -50.84 68.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.0 -32.22 5.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.525 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.9 m -56.06 -53.98 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.1 OUTLIER -76.75 -41.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 170' ' ' ALA . 46.6 t -49.81 -51.23 41.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.339 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.29 -52.01 60.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.09 -48.24 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 165' ' ' ILE . . . -71.33 -32.2 68.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -54.71 -46.9 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -71.55 -46.78 58.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.448 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -60.23 -48.98 79.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 173' ' ' THR . . . . . 0.513 HG21 ' O ' ' A' ' 170' ' ' ALA . 3.3 t -60.44 -39.94 89.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -56.24 -49.42 74.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.518 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -59.14 -46.72 87.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.584 ' CD1' ' O ' ' A' ' 180' ' ' GLY . 0.7 OUTLIER -47.34 -55.94 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.71 -25.16 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.11 25.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 176' ' ' LEU . . . -122.93 165.1 15.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.547 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 6.1 ptt? -151.46 -41.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 tp10 -60.66 -46.96 97.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.06 -36.17 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.757 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -61.89 -45.29 94.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.631 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.64 -36.93 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 57.4 t30 -76.77 -23.1 52.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.3 tpt180 -103.03 -55.98 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.757 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.5 OUTLIER -73.97 -58.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.631 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -72.18 -2.02 17.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -142.54 99.89 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.669 ' CH2' ' O ' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.468 ' CB ' ' OG ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.96 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -131.02 164.47 25.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -118.92 140.72 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 91' ' ' ILE . 21.2 t -124.57 141.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -130.48 124.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.06 111.1 4.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.626 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 2.1 mp -82.07 96.06 7.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.498 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -108.67 -162.85 20.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 34.5 t-20 -139.67 120.17 9.37 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.96 3.91 5.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -59.33 -156.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.61 -96.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -48.6 -36.26 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CZ ' HD23 ' A' ' 151' ' ' LEU . 8.2 t80 -88.34 -24.44 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 -26.11 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 21' ' ' ARG . 14.1 mmt180 -56.99 -15.42 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 70.5 p -74.37 12.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.604 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 80.71 5.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -56.14 -2.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.179 . . . . 0.0 109.622 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.604 ' H ' ' C ' ' A' ' 21' ' ' ARG . 6.1 p30 -97.41 6.39 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.391 1.057 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' CD1' ' HG3' ' A' ' 21' ' ' ARG . 1.4 tp -36.61 -61.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -41.44 -44.37 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASN . 14.6 t80 -82.02 -35.38 28.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 1.7 t -67.38 -42.47 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.01 -36.63 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -63.88 -47.36 80.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.596 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 57.3 t0 -66.76 -43.14 84.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.514 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.03 -56.39 16.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 8.8 mt -57.11 -59.07 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -60.29 -13.47 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.24 -21.22 19.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -38.79 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.72 -21.18 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.93 -9.32 78.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 52' ' ' THR . . . -83.66 145.4 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.48 64.27 1.25 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.611 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 1.1 t80 -51.61 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -169.72 -168.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.706 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -134.42 152.47 51.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.555 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 10.1 t-160 82.97 -42.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.03 179.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt180 89.82 -71.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.93 32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.57 57.15 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -179.15 172.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.706 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.2 tt0 -86.37 151.33 23.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.517 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 62.1 t -155.27 155.1 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.611 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -168.07 110.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.54 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -63.23 164.58 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 110.336 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -150.26 120.92 1.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.12 116.56 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER 171.37 178.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 60.92 13.15 4.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.62 33.88 37.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 55' ' ' SER . 6.4 tpm_? -179.04 152.85 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -81.94 173.19 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -161.33 126.34 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.27 103.21 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.52 ' CD1' ' HB3' ' A' ' 29' ' ' ALA . 1.5 tm? -90.04 113.33 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 50' ' ' VAL . . . -123.96 168.41 12.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.52 ' CD ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -177.82 117.89 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.708 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.96 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.491 ' C ' ' N ' ' A' ' 68' ' ' TYR . 30.0 mmt180 -79.5 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -46.37 -20.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 108.298 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.7 m-85 61.25 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 1.0 OUTLIER -37.99 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.06 -34.13 77.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -58.28 -41.68 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.4 t -68.86 -51.01 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -47.12 -51.23 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.51 -47.02 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.606 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 5.7 tp60 -46.54 -49.97 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 26.4 mt -68.36 -44.85 83.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.63 -68.15 0.11 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.574 1.829 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.1 -40.19 63.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.757 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.73 -51.04 53.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -16.86 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.669 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -75.27 -44.59 45.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CE2' ' NH2' ' A' ' 45' ' ' ARG . 14.5 m-85 -85.99 -11.4 53.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.5 t 55.96 50.53 13.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.9 p -96.52 166.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.31 156.0 42.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.576 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.3 Cg_endo -75.02 -12.77 21.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.42 1.747 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.07 0.12 33.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 16.2 m-20 -120.1 -14.73 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.544 ' CD1' ' HB3' ' A' ' 6' ' ' LEU . 51.1 mm -87.47 122.32 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -128.97 115.06 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.53 ' CG2' HD11 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -101.76 117.69 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.921 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.638 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -100.84 141.81 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.626 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -157.8 165.65 34.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.54 179.962 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.418 ' CA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -90.27 142.16 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.0 OUTLIER -150.14 153.2 35.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.471 HD23 ' CG2' ' A' ' 150' ' ' VAL . 4.0 mp -85.89 114.41 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -109.69 -83.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -136.23 -75.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.9 171.08 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.11 49.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.973 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -176.39 43.36 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.601 ' HG3' ' N ' ' A' ' 104' ' ' ILE . 9.6 tpt180 -130.17 161.79 30.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.601 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -122.6 160.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.627 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.6 OUTLIER -151.18 94.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.578 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.36 143.75 32.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -154.15 174.81 14.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.2 OUTLIER -102.93 -88.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -131.09 42.1 1.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.01 -39.64 16.06 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.47 132.43 1.85 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -76.52 87.42 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -37.32 -91.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -58.13 -112.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 1.4 m170 158.5 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.607 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -55.16 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -74.21 -28.6 63.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.503 HD12 ' CA ' ' A' ' 114' ' ' GLY . 9.4 mt -64.38 -58.87 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.5 ttt180 -65.8 -35.29 80.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 m -62.94 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.479 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 16.1 t -71.15 -41.03 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.56 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 11.5 t -72.78 -26.01 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.0 60.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -82.49 -46.32 13.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.681 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 20.4 mt -79.43 -21.81 45.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 76.1 7.29 84.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.547 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 85.77 122.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.666 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 1.8 tppt? -143.73 10.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 8.7 t0 80.98 20.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.917 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 130' ' ' PHE . . . . . 0.681 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 73.0 m-85 -51.18 158.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -95.08 157.32 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.38 150.74 42.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.645 1.216 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 23.8 t -133.47 86.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.386 1.054 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.627 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 mtp-105 -88.81 144.77 26.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 135' ' ' ILE . . . . . 0.538 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.5 mp -97.57 152.03 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -105.85 100.47 1.68 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.155 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.574 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.3 pp -118.79 98.78 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 109.233 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.88 70.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 149' ' ' PHE . . . . . 0.551 ' CE1' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -76.32 -32.02 58.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.51 HG22 ' CD1' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -63.87 -31.57 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.432 HD23 ' CZ ' ' A' ' 17' ' ' TYR . 46.4 mt -87.27 20.72 2.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.66 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.3 OUTLIER -59.36 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 153' ' ' ASN . . . . . 0.66 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.0 t30 141.61 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 154' ' ' PHE . . . . . 0.591 ' O ' ' N ' ' A' ' 158' ' ' GLU . 1.2 m-85 -70.98 28.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 155' ' ' THR . . . . . 0.576 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.65 -50.7 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 156' ' ' PRO . . . . . 0.542 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.98 -73.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . 0.521 ' HB1' ' CD2' ' A' ' 154' ' ' PHE . . . -45.25 -43.25 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . 0.648 ' O ' ' CG1' ' A' ' 162' ' ' VAL . 1.2 mt-10 -69.98 -37.95 75.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 159' ' ' ARG . . . . . 0.933 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 1.1 mmm-85 -52.48 -39.42 61.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.643 ' C ' ' CD ' ' A' ' 163' ' ' PRO . . . -83.35 -27.71 29.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.6 ' O ' HG21 ' A' ' 165' ' ' ILE . 28.2 mt-10 -79.15 -37.76 37.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . 0.774 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 4.5 m -62.02 -35.32 20.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.933 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.0 Cg_endo -75.09 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 6.0 m -55.69 -46.76 77.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.432 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . 0.6 HG21 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.44 -51.49 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.925 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 166' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 162' ' ' VAL . 40.2 m -51.0 -53.84 29.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.259 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 9.6 pt-20 -58.02 -47.85 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 168' ' ' GLN . . . . . 0.593 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 6.1 mm-40 -63.66 -39.71 95.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 169' ' ' ALA . . . . . 0.499 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -72.39 -41.24 66.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.31 70.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.11 -41.13 77.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 172' ' ' ALA . . . . . 0.587 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -63.53 -38.27 90.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.6 m -63.89 -51.51 64.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.66 -43.54 85.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 175' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.5 OUTLIER -66.34 -35.97 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 176' ' ' LEU . . . . . 0.518 HD12 ' CB ' ' A' ' 181' ' ' MET . 6.4 tp -55.76 -54.37 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 70.0 mt -73.26 -20.05 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -64.29 -76.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -106.55 -72.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.32 9.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 181' ' ' MET . . . . . 0.518 ' CB ' HD12 ' A' ' 176' ' ' LEU . 14.0 ptt? -100.92 -17.18 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . 0.505 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -42.33 -51.74 10.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 183' ' ' PRO . . . . . 0.565 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.99 -44.21 90.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.9 tt0 -67.5 -37.83 83.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 186' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.8 -24.27 36.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 187' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -97.83 -57.5 2.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 188' ' ' VAL . . . . . 0.779 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -67.37 -48.23 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -82.29 15.23 2.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 190' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -74.83 -44.45 49.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 191' ' ' TRP . . . . . 0.609 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 17.7 p90 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.491 0.186 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.48 129.9 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.45 136.32 0.7 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.425 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.5 Cg_endo -75.0 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -135.08 141.7 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.373 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -114.68 141.49 47.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 16.1 t -126.85 143.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.476 ' CG1' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.71 120.91 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.81 109.13 3.78 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.443 1.089 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.599 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -95.42 117.03 29.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -140.54 -144.99 4.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' HIS . 40.1 t-20 -136.12 129.08 17.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.557 1.82 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.67 -110.48 1.09 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -176.69 -136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m120 57.83 -80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' A' ' 15' ' ' ALA . 0.1 OUTLIER -75.51 -17.38 60.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.11 -25.07 62.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 109.308 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -57.72 -31.78 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 p -76.86 35.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.601 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.7 mmp_? 58.6 14.24 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.4 t-160 -66.25 9.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.601 ' H ' ' C ' ' A' ' 21' ' ' ARG . 4.1 t-20 -130.62 41.22 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -63.41 -49.88 72.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.71 -46.36 67.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.604 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -79.18 -25.78 42.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.727 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 3.3 t -73.67 -42.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -37.93 37.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.06 89.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.17 -45.65 87.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -56.46 -60.65 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.64 -24.56 63.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.523 ' HB3' ' CE1' ' A' ' 40' ' ' PHE . . . -75.76 -54.37 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.56 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -53.77 7.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.75 93.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -9.51 77.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.17 144.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 85.71 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.72 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 74.3 m-85 -61.6 -179.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.35 -165.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -152.05 118.88 5.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.401 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 9.6 t-160 -176.07 -127.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' H ' ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 69.93 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -45.6 -26.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.503 ' CB ' HD21 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -77.85 -49.69 13.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.053 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.52 54.37 1.34 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.543 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -135.46 -179.62 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 2.6 tp10 -84.91 149.34 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.59 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.8 p -174.72 167.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.72 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -169.95 146.96 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.58 151.31 21.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.463 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -146.53 131.04 3.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -107.42 131.06 54.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 110.297 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 170.46 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' CB ' HG23 ' A' ' 177' ' ' ILE . . . 43.66 28.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 59.52 42.17 97.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' SER . 5.3 tpm_? -176.98 155.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.87 165.98 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 1.4 pp -145.09 126.0 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.3 t -108.9 98.57 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -96.49 113.23 24.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.467 ' N ' HD21 ' A' ' 62' ' ' LEU . . . -121.75 169.72 10.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.62 116.84 0.15 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.735 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.89 -156.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.7 mmt180 -88.89 -87.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -42.43 -24.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.306 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 72' ' ' SER . 25.2 m-85 62.56 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.7 ttt -28.68 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.11 -36.19 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 74' ' ' ARG . 2.2 mt-10 -59.11 -33.15 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.884 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.2 t -76.5 -53.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.615 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.68 -50.91 8.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.977 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.25 -49.24 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -44.77 -49.71 10.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.796 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.9 mm -68.01 -46.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.32 -68.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.977 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.95 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.74 -39.44 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.796 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -50.44 57.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -16.56 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -76.95 -43.15 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.45 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 9.0 m-85 -87.32 -17.11 33.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.3 p 55.13 53.05 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 61.7 t -94.17 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.41 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -90.34 164.34 27.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.454 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 18.2 Cg_endo -75.03 -33.96 4.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.5 0.86 15.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 6' ' ' LEU . 81.4 m-20 -108.91 -28.74 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 47.3 mt -88.52 132.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.476 HG13 ' CD1' ' A' ' 93' ' ' ILE . 1.1 pt -134.64 118.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 93' ' ' ILE . 12.9 p -102.09 123.76 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.739 ' CD1' ' N ' ' A' ' 93' ' ' ILE . 0.2 OUTLIER -98.53 141.86 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.599 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.0 t-160 -157.34 178.55 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.476 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -108.91 145.41 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.1 t0 -155.81 153.98 30.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 150' ' ' VAL . 1.0 OUTLIER -91.94 116.2 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 138' ' ' GLY . 29.3 t0 -118.62 -60.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 138' ' ' GLY . 6.6 mt -132.81 -105.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.78 176.66 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.4 ' O ' ' CD ' ' A' ' 161' ' ' GLU . 3.0 m-85 -91.64 70.31 5.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.0 40.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -132.85 164.82 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.477 HG22 ' CD1' ' A' ' 165' ' ' ILE . 1.8 pt -121.97 164.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.7 tpt180 -149.12 97.72 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.216 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.59 127.49 52.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -147.8 177.97 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.536 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -105.93 -83.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.486 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -65.3 -53.74 31.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -47.15 129.14 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.14 -163.44 37.15 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 51.0 80.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.69 49.83 0.86 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 106.72 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.83 129.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.589 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -55.45 -42.78 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.01 -59.49 10.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.593 ' CD2' ' CD2' ' A' ' 10' ' ' LEU . 11.5 mt -53.79 -46.37 71.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' HG11 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.65 -31.87 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 44.5 t -72.45 -27.74 62.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.615 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.82 -42.59 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -63.98 -43.54 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.428 ' N ' HG11 ' A' ' 122' ' ' VAL . . . -73.04 -36.29 66.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.54 -47.15 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.628 ' CD2' ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -82.21 -20.94 36.76 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.16 3.89 88.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 68.38 121.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.3 tmtt? -141.13 13.99 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.536 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 3.4 t70 83.82 19.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.628 ' CE1' ' CD2' ' A' ' 125' ' ' LEU . 80.6 m-85 -46.68 162.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.458 ' CG ' HD11 ' A' ' 108' ' ' ILE . 72.3 mt-30 -94.44 156.45 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.81 149.29 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.613 ' HB ' HD12 ' A' ' 93' ' ' ILE . 64.3 t -132.29 85.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -89.07 145.02 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 94' ' ' HIS . 4.5 mp -96.15 149.91 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.456 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -94.17 94.53 1.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.589 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.4 pp -106.48 94.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.468 ' O ' ' CA ' ' A' ' 97' ' ' LEU . . . 64.19 177.67 5.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.2 157.92 75.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.456 ' N ' HD13 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.98 118.13 5.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -25.65 11.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.798 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -179.38 -144.78 5.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -107.45 3.56 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -53.24 -59.02 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.457 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -175.24 89.26 0.3 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -53.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.88 89.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -60.83 -40.37 92.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' A' ' 152' ' ' GLU . 0.8 OUTLIER -76.16 -21.79 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.052 . . . . 0.0 110.957 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -82.22 -26.17 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 40.6 mt -103.3 50.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.313 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 28.2 mt-10 -77.39 -105.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.603 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.1 t30 157.07 51.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.631 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -69.29 29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.603 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.3 OUTLIER -20.14 -52.8 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.528 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.99 -70.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.5 1.789 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.631 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.87 -39.57 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 162' ' ' VAL . 8.8 mm-40 -74.35 -32.77 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.016 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.37 -44.22 88.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.73 -34.03 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.61 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.8 mm-40 -74.74 -37.05 62.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.643 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -54.24 -52.11 71.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.016 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -25.96 11.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -64.02 -59.81 4.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.569 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.82 -53.4 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.497 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 61.6 m -44.76 -46.41 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 108.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.4 tt0 -62.06 -44.73 96.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.179 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.509 ' O ' ' CG1' ' A' ' 188' ' ' VAL . 0.5 OUTLIER -66.24 -47.95 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.53 77.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -62.17 -40.96 97.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.11 -44.49 76.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.524 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.74 -41.38 86.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.8 m -63.98 -52.21 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -57.12 -48.25 79.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.7 -38.51 90.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.454 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 5.0 tt -55.5 -44.51 76.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.461 HG23 ' CB ' ' A' ' 56' ' ' ALA . 84.7 mt -74.73 -26.08 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.99 -41.25 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.87 -72.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.59 176.38 35.51 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.566 1.166 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.455 ' HA ' ' HB2' ' A' ' 184' ' ' ALA . 0.0 OUTLIER -87.7 -19.96 26.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 0.733 . . . . 0.0 110.994 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.549 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -45.51 -48.58 36.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.1 -39.09 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.563 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.23 -37.15 86.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.581 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.5 tt0 -72.92 -40.56 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.54 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 25.3 t-20 -78.57 -21.21 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.2 ttt-85 -95.62 -52.84 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.679 ' O ' ' CE3' ' A' ' 191' ' ' TRP . 16.8 t -88.26 -59.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.581 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.0 t-80 -66.64 22.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.653 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.675 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -105.38 -33.47 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.679 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.53 0.205 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.92 131.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.42 86.25 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.444 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 164.75 32.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -130.8 139.24 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -109.33 144.63 37.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.48 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 24.3 t -131.53 144.55 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.93 119.67 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.36 109.77 3.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.608 HD11 ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.02 101.6 13.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.86 -144.09 7.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -132.49 122.42 17.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.453 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -74.99 -160.38 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -33.79 102.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.94 106.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -52.73 -22.84 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.573 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -81.71 -19.63 41.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.073 . . . . 0.0 110.956 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -52.47 -24.68 8.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.522 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -58.57 -12.03 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.217 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 70.0 p -75.59 26.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.588 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.2 mtp180 69.03 -0.97 2.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -65.92 7.91 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.588 ' H ' ' C ' ' A' ' 21' ' ' ARG . 62.0 t30 -124.49 29.52 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.54 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -51.36 -43.37 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -50.33 -60.95 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CG ' ' OH ' ' A' ' 68' ' ' TYR . 1.4 t80 -78.07 -20.54 52.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 0.787 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.567 ' N ' ' O ' ' A' ' 23' ' ' ASN . 9.6 t -74.28 -38.78 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.452 ' CG2' HD11 ' A' ' 24' ' ' LEU . 2.3 t -78.24 -51.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.86 73.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 32.3 t0 -69.17 -49.38 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.39 -55.33 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.61 -53.42 54.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.513 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -60.78 -25.9 66.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -71.33 -34.81 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -92.29 -45.17 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -170.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -93.51 36.18 3.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.612 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -22.7 121.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.53 67.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.67 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 1.2 p90 -139.76 -157.81 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.38 -164.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -123.15 124.5 43.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -58.06 143.26 44.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -97.19 -58.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.8 ttt180 -37.8 -38.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.533 ' CB ' ' CD1' ' A' ' 79' ' ' LEU . 99.3 p -94.95 -49.34 5.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.89 66.2 0.96 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -172.02 164.8 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.511 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.7 mm-40 -71.31 144.51 49.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 19.3 m -140.84 109.49 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.67 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -118.87 111.12 18.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 126.45 31.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.05 124.04 5.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtm105 -140.89 95.27 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.9 -168.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.82 20.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.74 43.42 59.49 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' CB ' HG22 ' A' ' 177' ' ' ILE . 0.3 OUTLIER 176.39 154.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.49 -178.88 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER 175.28 103.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.412 ' CG1' HD11 ' A' ' 6' ' ' LEU . 25.2 t -99.01 110.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.48 ' CD2' ' HB ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -97.79 106.34 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' C ' ' CD ' ' A' ' 64' ' ' LYS . . . -126.92 166.25 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.519 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 179.51 124.71 0.22 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -157.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.409 1.742 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 55.2 mmt-85 -79.14 -84.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -45.57 -20.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 62.26 -81.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.506 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 7.0 ttm -35.99 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.073 . . . . 0.0 111.058 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.661 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 52.7 m-20 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.523 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -50.93 -44.86 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -65.86 -49.47 68.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.621 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.21 -52.3 6.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.92 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.47 -53.52 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.523 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 10.3 mm-40 -44.09 -48.92 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.51 -45.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.56 -68.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.92 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.97 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.533 ' CD1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.72 -41.37 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.48 -48.0 68.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -17.61 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -74.79 -43.2 55.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -79.62 -5.16 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.7 t 53.31 46.86 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.2 t -103.55 159.46 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.245 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.29 164.27 36.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.236 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.405 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.1 Cg_endo -75.11 -30.51 6.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.51 -4.93 12.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 6' ' ' LEU . 71.7 m-20 -111.49 -25.05 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 50.9 mt -90.67 133.27 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 131' ' ' GLN . 0.5 OUTLIER -135.64 140.7 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.242 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 5.4 p -124.95 132.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -112.2 147.98 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.608 ' CD2' HD11 ' A' ' 10' ' ' LEU . 9.4 t-160 -156.68 173.18 17.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.507 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -109.3 145.61 35.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.5 t0 -156.67 152.41 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.53 103.76 11.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -100.68 -76.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 139' ' ' ARG . 3.6 mt -136.23 -80.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.3 mt-10 -92.0 166.91 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 5.1 t80 -96.21 99.43 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.46 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . 125.43 50.51 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.664 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -136.79 127.76 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.797 . . . . 0.0 110.36 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.49 HD13 ' CB ' ' A' ' 169' ' ' ALA . 1.2 pt -92.06 153.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.3 ttt85 -144.04 111.61 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.49 143.15 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 ttmt -160.42 172.59 16.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.444 ' C ' ' CD1' ' A' ' 108' ' ' ILE . 0.1 OUTLIER -131.45 -90.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.416 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.93 -22.51 6.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -39.75 -72.9 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 112.08 -175.6 17.32 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -88.39 91.87 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.55 -48.8 3.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.33 75.47 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.7 132.08 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -42.13 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.63 -60.36 8.89 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.571 1.169 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.42 -41.81 61.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.221 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.455 ' O ' HG12 ' A' ' 122' ' ' VAL . 4.3 ttt-85 -62.73 -34.49 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -74.39 -30.31 61.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.548 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 9.4 t -72.34 -41.92 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.619 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -68.07 -40.64 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.43 ' N ' HG12 ' A' ' 122' ' ' VAL . . . -71.75 -36.81 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.31 -45.72 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' ' 80' ' ' ALA . 16.7 mt -84.79 -22.5 29.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 69.48 4.18 43.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.437 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 0.2 OUTLIER -95.91 -151.28 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.412 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER 168.05 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -136.04 10.18 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 87' ' ' PRO . 5.7 p90 -81.13 162.25 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 46.9 mt-30 -88.88 156.55 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.236 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -142.82 150.09 39.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 49.0 t -133.72 86.38 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -90.26 144.84 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.384 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 3.9 mp -105.48 146.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.664 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -97.23 98.07 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.586 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.7 pp -107.99 84.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 139' ' ' ARG . . . -113.4 -135.53 6.25 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER 87.25 69.85 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 110.228 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.59 38.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.771 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -21.99 15.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 140.48 -45.41 0.98 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 177.33 35.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -104.57 -73.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 7.9 p30 -158.33 102.34 1.7 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.99 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.576 1.83 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.92 -49.15 40.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.401 ' HB1' ' CG ' ' A' ' 145' ' ' ASP . . . -57.07 -35.53 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.414 ' O ' ' HG3' ' A' ' 152' ' ' GLU . 1.4 t80 -77.08 -32.29 56.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.29 -27.71 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.481 ' C ' HG22 ' A' ' 20' ' ' THR . 27.0 mt -88.13 36.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 149' ' ' PHE . 35.6 mt-10 -106.81 -119.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' A' ' 155' ' ' THR . 59.4 t30 166.22 96.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.64 ' O ' ' C ' ' A' ' 155' ' ' THR . 0.6 OUTLIER -71.98 34.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.009 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.64 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -14.68 -55.42 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.442 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.615 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.0 -75.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.587 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -44.9 -34.42 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.76 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -78.59 -32.47 47.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 110.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.974 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.58 -47.63 81.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.44 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.72 -34.51 52.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.591 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.5 tp10 -76.09 -37.57 58.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.76 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.3 t -52.15 -50.81 76.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.163 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.974 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.02 -28.13 9.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 13.6 m -64.64 -59.36 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.587 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.02 -54.66 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 67.7 m -45.46 -47.7 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -59.19 -45.32 91.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.484 ' O ' ' CG1' ' A' ' 188' ' ' VAL . 0.4 OUTLIER -65.8 -46.3 79.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.49 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -67.8 -38.38 83.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.82 -44.86 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 5.3 m-20 -67.22 -43.58 81.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.519 ' CB ' HG21 ' A' ' 188' ' ' VAL . . . -58.89 -39.45 81.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.1 m -63.78 -53.66 47.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.67 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.54 -35.79 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.67 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.72 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 3.2 tt -54.72 -39.92 68.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.41 HG22 ' CB ' ' A' ' 58' ' ' ARG . 8.2 mt -75.98 -34.16 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.441 ' OE1' ' CD ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -54.56 -63.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -128.97 -71.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -152.1 -179.51 27.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.169 . . . . 0.0 111.055 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.411 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.5 ptp -92.41 -16.51 25.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.7 mp0 -51.32 -44.37 88.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.05 -38.33 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.86 -33.79 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.03 -41.47 64.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.581 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 19.5 t30 -78.25 -20.32 51.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.87 -52.24 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.671 ' C ' ' H ' ' A' ' 190' ' ' ALA . 19.1 t -88.6 -58.58 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.7 t-80 -67.54 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.671 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -120.54 57.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.479 1.112 . . . . 0.0 108.02 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.54 0.209 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' O ' ' CD ' ' A' ' 3' ' ' GLU . . . -165.45 107.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 0.6 OUTLIER 174.16 152.86 0.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.211 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.01 161.77 38.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.81 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -127.06 138.37 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 89' ' ' ASN . 3.6 tt -105.65 148.27 27.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 61' ' ' VAL . 14.1 t -131.99 142.93 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.459 HG22 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.19 122.15 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.97 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.582 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -84.32 101.91 12.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.452 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.15 -160.41 11.8 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 26.2 t-20 -138.3 120.57 10.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.0 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . 43.07 -155.82 0.14 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 81.96 147.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.25 -10.08 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.523 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.6 OUTLIER -84.72 -22.82 29.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.33 -34.63 75.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' C ' ' H ' ' A' ' 21' ' ' ARG . 1.3 tpt180 -63.4 -22.22 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 1.6 t -78.41 20.35 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER 70.64 14.38 7.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.462 ' HB3' ' CB ' ' A' ' 12' ' ' ASN . 0.5 OUTLIER -65.07 7.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.587 ' H ' ' C ' ' A' ' 21' ' ' ARG . 9.1 t-20 -117.82 18.8 13.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -44.71 -42.55 7.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.21 -58.7 10.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.6 t80 -78.21 -21.55 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.8 t -73.82 -38.79 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.489 ' HB ' ' CD1' ' A' ' 93' ' ' ILE . 2.5 t -76.64 -53.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.519 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -56.94 -37.11 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 34' ' ' ALA . 8.3 t70 -68.7 -47.1 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -48.88 -56.69 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.8 mt -56.48 -52.38 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.518 ' CA ' ' HB3' ' A' ' 38' ' ' ALA . . . -60.48 -21.74 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.524 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -77.41 -36.16 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -42.79 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -84.5 15.31 3.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.97 -57.18 0.39 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB3' ' CA ' ' A' ' 33' ' ' ALA . . . 72.37 144.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 81.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.743 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -141.57 -153.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -162.14 -162.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.15 152.55 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -97.54 112.89 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.02 -59.56 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -38.15 -32.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 44' ' ' LYS . 1.1 p -94.84 -47.54 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.05 52.61 1.6 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.528 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -168.05 168.23 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 24.6 tp10 -82.99 151.39 25.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.522 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 4.2 m -143.56 115.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.743 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -117.77 111.46 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.22 126.77 31.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.82 129.07 5.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -140.11 98.75 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.806 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -167.61 -161.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 44.4 25.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 64.71 47.93 78.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.22 155.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.332 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 174.86 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -177.29 105.23 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' VAL . 2.7 t -98.87 109.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.519 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -98.38 108.35 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.66 171.7 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.19 127.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.667 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' C ' ' N ' ' A' ' 68' ' ' TYR . 32.6 mmt180 -84.39 -85.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -45.83 -21.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.745 ' O ' ' N ' ' A' ' 72' ' ' SER . 14.9 m-85 62.27 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.471 ' O ' ' O ' ' A' ' 68' ' ' TYR . 57.2 ttm -35.11 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.99 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.379 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.607 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.6 mm-40 -56.8 -45.05 82.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 68' ' ' TYR . 31.7 t -67.02 -55.12 15.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.65 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.05 -54.77 3.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.962 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.73 -47.74 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.607 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.3 mm-40 -48.69 -47.72 40.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.777 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.34 -47.2 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.48 -67.06 0.1 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.453 1.096 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.962 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.47 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.41 -40.0 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.777 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.18 -50.36 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -15.76 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.689 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -77.43 -40.23 44.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.478 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 4.1 m-85 -79.34 -8.19 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 p 52.22 46.38 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 89.4 t -103.75 170.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.462 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -79.9 154.04 75.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 131' ' ' GLN . . . -77.46 0.86 21.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 6' ' ' LEU . 60.9 m-20 -99.69 -18.62 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 13.5 mt -89.22 137.27 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.524 ' CD1' HG22 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -137.32 118.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.501 ' CG1' ' HG ' ' A' ' 10' ' ' LEU . 27.5 t -103.1 131.09 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.526 ' CG2' ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -108.58 143.09 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -158.28 177.78 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.38 143.89 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.491 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 6.1 t0 -149.01 151.19 34.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.67 114.59 23.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -110.85 -84.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 -68.42 0.47 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.218 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.53 163.97 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -93.78 25.28 3.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -155.66 51.29 0.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.481 ' CD ' ' O ' ' A' ' 104' ' ' ILE . 3.4 tmm_? -134.72 158.19 44.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.4 pp -122.45 156.98 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.0 ttm180 -142.15 103.09 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.48 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -109.17 132.05 54.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -147.49 179.08 7.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -109.58 -54.27 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.19 20.3 21.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -35.54 -58.57 0.88 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.11 137.83 4.15 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -44.92 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' N ' ' OE1' ' A' ' 112' ' ' GLU . . . 77.41 97.66 0.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 39.44 -148.21 0.15 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.419 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 14.0 m170 64.6 110.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.64 -36.79 77.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.415 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -61.86 -61.0 7.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.606 ' O ' HG13 ' A' ' 121' ' ' VAL . 11.8 mt -50.39 -42.17 53.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.457 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.2 ttm105 -66.12 -33.24 75.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -74.57 -27.29 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.65 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.96 -43.17 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.64 -44.64 89.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.428 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.81 -37.84 76.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.72 -46.67 71.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.455 HD22 ' CB ' ' A' ' 80' ' ' ALA . 16.0 mt -79.91 -20.79 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.06 5.33 84.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.87 131.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.727 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -169.76 32.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 60.25 96.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 87' ' ' PRO . 59.7 m-85 -123.61 162.42 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.401 ' OE1' ' O ' ' A' ' 88' ' ' ALA . 20.2 mt-30 -92.45 152.98 19.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -142.08 148.97 39.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.526 ' HB ' ' CG2' ' A' ' 93' ' ' ILE . 3.2 t -134.25 81.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.52 145.99 24.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.553 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.1 mp -94.66 149.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.2 85.8 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.137 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.635 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -108.07 94.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 139' ' ' ARG . . . -104.58 -105.09 2.98 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER 80.54 69.04 0.14 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.54 6.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.387 1.73 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -10.46 21.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.811 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 143' ' ' ARG . . . 132.02 79.87 0.18 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 142' ' ' GLY . 0.0 OUTLIER 37.53 52.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -107.88 -79.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.484 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 33.0 m-20 -164.84 105.28 0.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -41.05 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.87 -44.44 66.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.484 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -60.06 -38.55 83.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -30.43 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.484 HG21 ' CG1' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -65.72 -39.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.413 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 44.5 mt -90.09 39.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.498 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 2.1 tt0 -93.07 -115.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.596 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -175.32 54.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.203 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.642 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -69.27 26.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.596 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -24.4 -51.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.3 Cg_endo -74.95 -69.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.6 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -47.07 -44.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.653 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.38 -29.69 62.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -57.21 -44.91 84.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.442 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -79.68 -33.56 41.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.63 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.8 mm-40 -74.58 -35.59 63.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.653 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -57.13 -53.67 62.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.88 -22.23 15.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.585 1.834 . . . . 0.0 111.066 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.63 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.2 m -62.65 -59.35 5.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -74.79 -44.19 45.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 32.2 m -48.95 -50.44 35.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.9 tt0 -63.75 -48.58 76.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -43.14 99.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -73.01 -33.25 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -49.81 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.74 -40.99 75.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.484 ' HB1' ' CG1' ' A' ' 188' ' ' VAL . . . -64.43 -35.85 82.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 169' ' ' ALA . 22.8 m -65.64 -51.13 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.407 ' O ' ' HB3' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -66.21 -41.06 90.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.455 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.9 tt -54.0 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 17.9 mt -79.49 -18.01 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -62.6 -58.86 6.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -72.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.95 -168.68 20.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.74 -17.69 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -49.77 -47.62 79.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.03 -37.29 2.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.79 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.07 -44.77 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.519 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 51.4 t30 -83.79 -20.29 33.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.84 -57.28 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.79 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.8 OUTLIER -71.06 -50.6 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.61 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.09 15.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -94.38 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.528 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.53 0.205 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.25 92.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -160.54 135.22 5.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 161.51 38.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.26 135.93 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -120.23 138.32 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -126.89 143.26 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -137.35 119.21 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.65 108.92 3.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.081 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -95.13 109.94 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.88 -139.48 4.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' HIS . 18.6 t-20 -135.31 125.85 17.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 41.65 -149.37 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.83 131.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -65.2 -9.77 26.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.61 -16.92 64.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.38 64.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' C ' ' H ' ' A' ' 21' ' ' ARG . 21.4 mmt180 -50.26 -26.94 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.6 p -76.34 16.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.609 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER 76.17 12.4 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -64.06 6.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.0 t-20 -118.74 17.75 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.396 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CD2' ' CG ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -40.77 -55.22 2.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.492 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -40.74 -60.2 2.19 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.417 1.073 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -75.02 -29.78 60.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.506 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -61.59 -42.95 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.46 -38.27 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.378 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.24 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.2 m-20 -66.32 -44.46 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.515 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -49.52 -58.08 5.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -50.05 73.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.532 ' CB ' ' HB1' ' A' ' 38' ' ' ALA . . . -60.71 -26.52 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -70.85 -39.69 72.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -44.26 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.66 -168.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.653 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -95.14 33.81 5.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.653 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -17.22 120.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.82 74.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.752 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -140.76 -155.93 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -155.94 -164.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -125.05 125.1 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.523 ' CD2' HG22 ' A' ' 50' ' ' VAL . 1.4 m170 -57.1 109.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.49 -55.96 10.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -48.18 -51.09 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.6 -48.77 58.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 110.059 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.44 55.23 1.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -169.95 165.47 9.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.51 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 7.0 tp10 -76.55 149.9 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 43' ' ' HIS . 4.7 m -147.19 112.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.752 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -118.27 107.98 14.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.2 125.9 44.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.53 -160.95 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -141.0 109.5 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.443 ' OG ' ' CD2' ' A' ' 60' ' ' LEU . 4.8 m -149.32 177.41 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.563 ' CB ' ' CG2' ' A' ' 177' ' ' ILE . . . 53.79 18.48 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.28 41.21 46.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.2 tpm_? 175.27 158.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 p -55.41 151.08 10.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD2' ' OG ' ' A' ' 55' ' ' SER . 1.6 pp -140.74 122.39 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.515 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 24.4 t -100.52 99.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 51' ' ' ALA . 1.4 tm? -96.87 105.79 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.417 ' C ' ' CG ' ' A' ' 64' ' ' LYS . . . -120.26 177.27 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 175.06 117.62 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.706 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 -157.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 61.1 mmt-85 -79.68 -84.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.412 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.58 -18.34 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 108.318 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 23.3 m-85 61.43 -82.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.505 ' CB ' HD11 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -40.47 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.668 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.5 m-20 -68.04 -47.21 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.61 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 3.0 tp10 -48.46 -43.24 34.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 47.3 t -64.79 -55.19 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.62 ' HA2' ' HA ' ' A' ' 121' ' ' VAL . . . -38.83 -52.14 2.54 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.963 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.88 -54.01 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.268 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.61 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.3 mm100 -44.48 -48.35 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -68.48 -46.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.77 -66.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.963 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.06 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -53.99 -41.32 67.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.771 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.43 -50.0 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.97 -16.85 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.69 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -76.22 -38.61 56.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.19 -2.08 39.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 51.33 45.93 27.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.17 163.3 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.452 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -88.86 155.84 49.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 -6.07 17.6 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -15.93 62.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.682 ' O ' ' N ' ' A' ' 6' ' ' LEU . 8.7 p30 -105.17 -16.33 14.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.6 mt -85.98 132.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.49 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.69 120.67 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 58.3 t -103.03 131.68 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.541 ' CG2' ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -111.97 145.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.567 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 7.5 t-160 -151.53 177.13 10.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.447 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -99.94 140.12 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.247 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 135' ' ' ILE . 6.3 t0 -149.98 169.69 20.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.445 HD13 ' C ' ' A' ' 139' ' ' ARG . 0.6 OUTLIER -107.37 100.99 10.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.469 ' CB ' ' HA3' ' A' ' 136' ' ' GLY . 31.6 t0 -92.98 -72.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 138' ' ' GLY . 3.6 mp -131.59 -90.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 138' ' ' GLY . 30.5 mp0 -88.78 173.47 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -87.2 55.61 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.408 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 176.92 48.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.473 ' HG3' ' N ' ' A' ' 104' ' ' ILE . 0.4 OUTLIER -134.53 160.79 36.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.249 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.5 pp -122.63 162.93 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.19 105.36 3.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.489 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.77 131.27 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 132' ' ' ARG . 4.8 tppt? -154.12 164.92 37.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.519 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.3 tp -95.11 -86.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.519 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -64.27 -39.71 97.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 40.3 -153.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -135.86 38.08 1.82 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.429 ' OE1' ' NH2' ' A' ' 119' ' ' ARG . 1.2 mt-10 58.02 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 114' ' ' GLY . . . -65.68 -61.04 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' ND1' ' A' ' 115' ' ' HIS . . . -52.74 -105.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.441 ' NE2' ' CE ' ' A' ' 69' ' ' MET . 2.1 p-80 178.29 -106.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' SER . 0.4 OUTLIER -65.61 -38.35 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.14 -64.11 4.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.612 ' O ' HG12 ' A' ' 121' ' ' VAL . 1.9 mt -52.81 -50.39 63.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.429 ' NH2' ' OE1' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -59.18 -33.22 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 116' ' ' ASN . 33.1 t -70.09 -29.67 66.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.62 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.76 -41.89 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.499 ' N ' HG12 ' A' ' 121' ' ' VAL . 16.5 t -68.28 -32.87 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.06 56.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.599 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.2 -44.88 78.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.563 ' CD1' ' CG2' ' A' ' 76' ' ' ILE . 2.7 mt -79.83 -21.02 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.37 3.31 82.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.408 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 76.17 129.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.423 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.497 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 2.0 tppt? -171.61 33.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.1 m-20 81.25 101.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -131.51 152.75 50.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -100.95 156.14 17.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.058 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -143.23 150.06 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.541 ' HB ' ' CG2' ' A' ' 93' ' ' ILE . 19.7 t -138.3 87.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.8 mtp180 -91.52 144.18 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.562 ' O ' ' N ' ' A' ' 96' ' ' ASP . 3.6 mp -99.3 150.26 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -107.88 95.98 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -107.78 71.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . 105.2 -179.54 23.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.445 ' C ' HD13 ' A' ' 97' ' ' LEU . 2.7 ptp180 -133.04 157.98 76.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.354 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.422 ' N ' HD13 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.02 120.15 5.94 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -33.96 4.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.404 1.739 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 133.61 -118.3 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.533 1.146 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -91.65 34.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.9 OUTLIER -100.69 -64.46 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 144' ' ' LYS . 1.7 m-20 158.34 86.65 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -61.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.84 -37.27 71.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.408 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -60.76 -39.54 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -25.4 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -27.91 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 52.7 mt -100.18 45.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 14.2 mt-10 -78.54 -100.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.596 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 12.5 t30 154.05 47.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.646 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -71.43 28.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.42 -52.88 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.493 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -75.0 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.646 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -48.26 -39.96 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.664 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.1 mt-10 -74.96 -31.35 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -58.69 -44.79 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.47 -34.78 54.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.599 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.2 mm-40 -75.19 -37.02 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.664 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -53.32 -51.8 72.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.1 Cg_endo -75.07 -27.42 9.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.599 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.6 m -60.15 -58.11 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.56 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -71.98 -46.31 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.515 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 34.9 m -51.3 -48.99 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -61.01 -45.55 94.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.582 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 3.6 mt-30 -67.51 -41.59 84.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 1.184 . . . . 0.0 110.253 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.48 ' O ' ' CB ' ' A' ' 173' ' ' THR . . . -72.73 -31.06 64.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -63.2 -49.19 75.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -70.69 -41.89 71.4 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.575 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -65.24 -37.98 88.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.1 m -63.74 -49.76 71.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.529 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.7 pt-20 -56.41 -48.41 77.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.529 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.7 tp -65.9 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.544 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 0.2 OUTLIER -53.58 -52.02 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.563 ' CG2' ' CB ' ' A' ' 56' ' ' ALA . 2.4 mt -77.99 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.422 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 6.8 tm-20 -66.63 -32.75 74.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -116.54 -71.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 176' ' ' LEU . . . -177.38 -52.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 163.5 -23.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -50.28 -47.0 83.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 17.9 Cg_endo -75.1 -37.29 2.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.557 1.819 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.803 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.6 -43.56 80.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 5.2 tt0 -67.49 -36.98 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 61.4 t30 -81.85 -23.3 36.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -100.99 -57.75 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.803 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -65.46 -47.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.593 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.33 12.49 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.537 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -86.91 -69.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.582 ' CH2' ' HB3' ' A' ' 168' ' ' GLN . 1.6 p90 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.46 0.171 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 176.17 90.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.222 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -167.75 119.04 0.7 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 179.47 6.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' HA ' ' CB ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -127.45 167.81 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.583 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -126.59 138.34 53.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.446 HG12 ' CG1' ' A' ' 91' ' ' ILE . 6.8 t -127.86 142.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.02 120.9 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.483 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -93.57 109.98 3.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -95.57 107.25 19.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.77 -146.57 5.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.512 ' ND2' ' CE1' ' A' ' 22' ' ' HIS . 21.3 t-20 -136.17 128.47 17.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.487 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.97 -170.51 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.448 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . -34.6 120.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 166.98 143.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.14 -7.84 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.64 ' CE2' ' CD1' ' A' ' 151' ' ' LEU . 0.2 OUTLIER -82.79 -18.48 40.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.3 72.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' C ' ' H ' ' A' ' 21' ' ' ARG . 22.1 mmt180 -55.89 -30.38 61.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -76.16 28.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.426 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.562 ' C ' ' H ' ' A' ' 23' ' ' ASN . 32.3 mmt-85 64.54 12.56 7.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.512 ' CE1' ' ND2' ' A' ' 12' ' ' ASN . 18.9 t-160 -68.52 11.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.662 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.562 ' H ' ' C ' ' A' ' 21' ' ' ARG . 7.8 t-20 -132.92 38.68 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.519 ' CD2' ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -61.01 -45.32 95.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.99 -52.47 35.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.3 t80 -78.09 -26.15 47.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 5.8 t -72.85 -39.47 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.455 ' CG2' HD13 ' A' ' 24' ' ' LEU . 40.9 t -76.9 -37.55 27.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -64.58 -47.4 78.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 m-20 -65.8 -41.81 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.54 -57.55 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 10.6 mt -57.86 -36.35 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.75 -14.62 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -88.95 -25.06 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -42.28 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.39 18.98 2.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.66 30.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -50.1 172.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.81 52.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.659 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.91 -164.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.97 -166.17 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.28 123.89 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.59 161.11 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 109.541 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -70.12 -164.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.5 ttp-105 36.86 -146.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.441 ' O ' HD22 ' A' ' 79' ' ' LEU . 33.5 p -71.98 52.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -118.72 -55.08 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.172 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 45.3 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -72.72 142.92 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.431 HG13 ' CB ' ' A' ' 63' ' ' ALA . 27.8 m -147.29 117.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.659 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -119.12 113.66 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 125.52 29.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -120.29 99.62 0.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.118 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -111.91 130.84 55.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER 157.56 -171.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 44.09 31.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.27 47.4 91.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER 175.5 152.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 2.2 t -108.87 169.51 8.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.177 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.4 117.03 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.0 t -89.01 99.86 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -95.39 107.13 19.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.562 1.163 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 49' ' ' GLU . . . -126.86 170.85 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' NZ ' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.45 130.06 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.704 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.99 -154.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 6.0 mmt180 -86.63 -86.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.415 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -43.7 -23.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.858 ' O ' ' N ' ' A' ' 72' ' ' SER . 18.8 m-85 63.15 -80.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.519 ' C ' ' O ' ' A' ' 68' ' ' TYR . 54.4 ttm -27.27 -92.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -71.67 -33.25 68.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.9 mt-10 -60.36 -33.1 71.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.858 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -79.82 -47.55 15.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.509 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -53.16 -47.08 61.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.01 -46.98 21.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.5 tp-100 -45.7 -50.74 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.787 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.9 mt -68.85 -46.38 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.32 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.08 -45.56 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.498 ' CD1' ' OE1' ' A' ' 75' ' ' GLN . 8.8 mt -54.95 -40.42 69.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.787 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.71 -47.66 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.32 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.2 t80 -76.18 -44.41 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.464 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 19.7 m-85 -86.37 -12.84 48.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 t 56.91 53.16 8.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.509 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 1.2 t -100.08 157.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.458 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -84.2 153.63 62.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.608 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.9 -6.3 17.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' O ' ' O ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -109.84 -14.1 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mm -85.08 123.07 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -136.67 117.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 8' ' ' VAL . 33.4 t -106.08 126.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.381 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 1.2 tt -105.88 144.59 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.545 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 10.5 t-160 -156.49 179.05 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.533 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -103.34 145.28 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -159.19 154.27 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 ' CD1' ' CG2' ' A' ' 150' ' ' VAL . 1.9 mp -85.54 103.82 14.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 139' ' ' ARG . 59.1 t0 -102.57 -72.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.37 -85.49 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.41 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.6 mt-10 -86.16 167.94 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -89.17 31.7 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -163.33 53.21 0.3 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 136' ' ' GLY . 3.7 mmm-85 -138.21 160.57 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.546 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.2 pp -118.51 161.61 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.11 111.55 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.474 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -111.26 131.93 54.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -147.77 170.45 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -132.21 -86.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.515 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -47.73 -31.05 7.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.93 -46.97 1.26 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.63 -172.78 54.61 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -75.45 100.66 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.62 -61.21 4.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -171.0 84.38 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 95' ' ' ASP . 2.6 m170 -151.91 133.62 14.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -60.53 -42.96 97.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.451 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -64.43 -59.03 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.9 mt -52.32 -45.31 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -60.7 -37.01 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -31.8 69.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.509 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.6 t -68.74 -44.27 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.56 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 11.4 t -73.12 -26.65 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.47 64.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -86.52 -45.79 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.712 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 22.7 mt -78.75 -22.42 46.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.22 8.09 82.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.53 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 83.8 119.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.705 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 18.5 tptt -139.29 8.54 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 15.2 m-20 85.74 16.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.712 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 67.3 m-85 -49.44 152.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -88.51 157.3 18.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.57 148.99 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.6 t -133.08 85.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -86.08 141.86 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.546 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 1.4 mp -96.78 141.11 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -87.38 99.1 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.408 1.067 . . . . 0.0 110.986 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.5 pp -106.16 79.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.448 ' O ' ' CA ' ' A' ' 97' ' ' LEU . . . 72.85 179.88 36.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -159.27 152.52 18.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 110.298 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.416 1.745 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -51.56 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -134.92 24.42 3.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 144' ' ' LYS . 3.5 ttt85 70.64 11.55 7.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -40.28 -51.07 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.434 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 1.1 m-20 178.98 92.14 0.17 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.07 81.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.434 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -60.11 -40.78 90.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -75.16 -20.91 59.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.504 ' CG2' ' CD1' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -79.71 -31.29 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.64 ' CD1' ' CE2' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -104.91 32.84 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.704 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 mm-40 -59.16 -101.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.704 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 14.4 t-20 136.43 46.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.614 ' O ' ' C ' ' A' ' 155' ' ' THR . 0.4 OUTLIER -71.48 28.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.614 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.6 OUTLIER -18.96 -52.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.561 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -75.07 -73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.578 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.07 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.9 OUTLIER -73.52 -34.37 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 110.274 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.5 -42.25 87.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.488 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -78.11 -33.0 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.553 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 2.0 tp10 -75.57 -38.11 59.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.543 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -53.53 -49.98 85.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.5 Cg_endo -74.99 -28.64 9.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.548 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -62.54 -56.12 20.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.553 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.21 -53.31 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.537 ' O ' ' N ' ' A' ' 170' ' ' ALA . 68.5 m -46.89 -48.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 0.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -61.03 -46.23 91.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.378 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.557 ' HB3' ' CZ2' ' A' ' 191' ' ' TRP . 1.4 tt0 -65.88 -45.97 80.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -70.83 -31.02 67.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -68.59 -40.19 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.353 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.614 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -65.78 -36.24 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.8 m -64.37 -50.86 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -56.79 -47.02 81.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.241 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.511 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.3 tp -66.21 -36.67 83.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.522 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.0 tt -52.81 -52.73 55.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 60.1 mt -74.58 -23.12 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 178' ' ' GLU . 0.4 OUTLIER -70.58 -30.18 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -114.71 -72.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 181' ' ' MET . . . 176.89 -46.0 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 160.26 -25.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 mt-10 -48.1 -50.23 56.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.99 -36.21 2.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.801 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.16 -44.63 83.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.58 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.4 tt0 -66.67 -37.21 84.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.731 HD21 ' N ' ' A' ' 186' ' ' ASN . 0.8 OUTLIER -81.67 -24.78 36.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.11 -58.13 2.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.801 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -63.84 -53.54 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -72.76 -17.21 61.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -139.29 96.13 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.557 ' CZ2' ' HB3' ' A' ' 168' ' ' GLN . 16.6 m95 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 108.061 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.521 0.2 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.3 118.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -179.18 90.78 0.21 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.03 168.42 24.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 1.2 mt -136.04 142.06 44.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -114.63 142.68 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.453 ' CG1' HG13 ' A' ' 91' ' ' ILE . 20.9 t -128.93 144.96 36.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.54 120.09 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -96.73 110.65 4.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.33 109.03 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.46 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -128.43 -144.74 5.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -135.76 125.3 16.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.429 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.4 Cg_endo -75.02 127.31 10.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 44.18 -153.95 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 68.63 137.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.801 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -63.58 -12.38 32.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -17.47 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.036 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -31.67 69.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 21' ' ' ARG . 16.8 mmt85 -52.93 -36.57 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -74.32 36.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.561 ' C ' ' H ' ' A' ' 23' ' ' ASN . 20.5 mtt180 56.84 14.88 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -68.93 11.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.632 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.561 ' H ' ' C ' ' A' ' 21' ' ' ARG . 35.1 t30 -138.25 29.21 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD13 ' CB ' ' A' ' 95' ' ' ASP . 3.8 mt -50.68 -46.69 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.91 -54.61 11.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 25.5 t80 -79.32 -27.54 42.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 0.8 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.4 t -70.27 -40.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -73.37 -52.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.49 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -53.05 -43.63 66.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.6 m-20 -66.17 -52.32 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.03 -54.26 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -56.05 -59.57 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.46 -14.6 30.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.616 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -87.76 -24.75 23.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.4 -40.87 7.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.546 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -74.39 -19.98 60.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 96.33 -35.86 4.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.553 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -28.25 146.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 93.92 2.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.679 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -79.27 -171.31 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -160.03 -164.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -138.23 149.97 46.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.444 ' O ' ' O ' ' A' ' 44' ' ' LYS . 5.7 t-80 -129.37 112.18 13.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -38.49 158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 74.03 -149.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.467 ' CB ' HD22 ' A' ' 79' ' ' LEU . 4.8 p -71.61 50.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.12 -57.59 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 52.02 -171.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.649 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 1.9 mt-10 -75.28 143.4 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.4 p -176.24 159.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.668 ' CB ' ' CB ' ' A' ' 40' ' ' PHE . . . -140.48 126.09 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.6 125.52 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.47 123.62 4.81 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.02 96.46 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 58' ' ' ARG . 51.7 p -176.75 -152.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 40.26 30.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 60.89 52.68 50.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 163.14 154.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.25 176.99 9.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -179.33 104.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.474 ' CG1' HD12 ' A' ' 6' ' ' LEU . 55.2 t -108.88 106.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.7 OUTLIER -95.56 109.02 21.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.539 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -115.2 170.68 8.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HE3' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 174.58 123.66 0.11 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.671 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.06 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.541 1.811 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 21.2 mmt180 -90.27 -87.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -47.51 -22.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 32.0 m-85 63.7 -79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.54 ' C ' ' O ' ' A' ' 68' ' ' TYR . 24.4 ttt -25.9 -98.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -68.59 -31.86 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.98 -35.4 76.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.9 t -75.81 -52.9 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.493 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -45.54 -49.34 11.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.98 -49.6 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 1.2 mm-40 -46.6 -48.94 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 27.0 mt -67.74 -44.24 85.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.5 -68.41 0.16 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.443 1.09 . . . . 0.0 110.977 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.03 -47.67 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.74 -40.32 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.741 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.78 -50.02 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -17.4 61.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.6 t80 -74.63 -44.77 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.474 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.8 m-85 -83.1 -11.05 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 56.03 51.85 11.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 2.0 t -97.29 168.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.05 156.5 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.604 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.2 Cg_endo -74.98 -34.94 3.46 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.12 -6.85 25.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.548 ' O ' ' N ' ' A' ' 6' ' ' LEU . 72.7 m-20 -104.82 -23.79 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 42.8 mt -88.22 134.73 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.52 ' C ' ' CD1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -137.64 118.88 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.474 ' CG2' HG21 ' A' ' 8' ' ' VAL . 98.5 t -103.7 124.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -107.03 144.11 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.587 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 9.0 t-160 -154.74 -174.4 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.633 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.498 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 5.4 p-10 -106.19 140.5 39.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 135' ' ' ILE . 8.3 t0 -147.42 159.86 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 150' ' ' VAL . 2.1 mp -98.74 104.8 16.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 139' ' ' ARG . 22.0 t0 -102.5 -73.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.461 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 9.9 mt -135.11 -96.82 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 138' ' ' GLY . 11.2 mt-10 -88.63 172.07 9.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.579 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 1.5 m-85 -92.49 82.57 4.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 159.36 40.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.489 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.3 mmm-85 -136.64 157.78 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.4 pp -120.64 163.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.2 tpt180 -148.77 108.9 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -108.0 125.86 52.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.6 -179.54 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.517 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -126.92 -85.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.517 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -84.66 -88.23 0.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.84 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 177.06 127.49 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' GLY . 2.6 mp0 -38.74 121.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.713 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.49 ' CA ' ' NH2' ' A' ' 134' ' ' ARG . . . -38.77 -67.98 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.57 43.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.5 ' CE1' ' CG ' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -118.82 138.33 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.515 ' CB ' ' CE ' ' A' ' 69' ' ' MET . 1.3 m-20 -55.52 -33.5 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -53.46 -60.58 8.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.444 HD12 ' CG ' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.73 -42.68 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -61.82 -35.47 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' ASN . 0.3 OUTLIER -71.48 -32.23 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.457 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.4 t -67.74 -45.21 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.519 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 16.1 t -72.32 -27.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.05 -33.7 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -89.43 -45.59 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.645 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 31.0 mt -77.93 -22.28 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.519 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 74.61 2.29 63.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 83.28 130.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.0 110.405 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.604 ' O ' ' CG ' ' A' ' 87' ' ' PRO . 8.3 tptt -152.11 17.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 19.7 m-20 80.73 20.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.645 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 97.2 m-85 -53.59 157.2 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.503 ' CG ' HD12 ' A' ' 108' ' ' ILE . 80.1 mt-30 -95.52 158.54 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -144.28 149.27 36.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.9 t -131.51 87.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 1.6 mpp_? -89.33 145.54 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 96' ' ' ASP . 2.8 mt -102.94 147.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -99.16 98.15 1.93 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.586 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.9 101.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.461 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 53.17 170.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -172.89 138.05 0.83 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.505 ' HG3' ' CA ' ' A' ' 146' ' ' PRO . 18.1 Cg_endo -75.01 124.75 8.86 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.575 1.829 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -1.6 11.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.44 1.758 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -153.16 23.34 0.78 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 144' ' ' LYS . 1.2 tpt180 58.06 14.82 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -39.97 -50.38 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.454 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.9 OUTLIER -176.33 94.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.505 ' CA ' ' HG3' ' A' ' 140' ' ' PRO . 18.4 Cg_endo -74.98 -57.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.45 77.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -59.73 -40.85 89.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.406 ' CE1' ' HE2' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -75.53 -22.99 56.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -73.99 -36.15 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.462 HD23 ' CG1' ' A' ' 150' ' ' VAL . 30.5 mt -88.31 46.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.682 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -72.2 -107.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.682 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 12.2 t-20 139.36 45.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.612 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.6 OUTLIER -74.32 31.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.75 -52.7 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.537 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -74.98 -71.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.591 ' HB2' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -38.18 10.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.1 tt0 -75.47 -31.69 60.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.55 -43.32 93.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.444 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -78.02 -34.73 50.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.588 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 8.6 mm-40 -76.0 -37.01 58.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.7 t -53.7 -50.85 81.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.793 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 6.4 m -63.61 -60.55 3.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.573 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.52 -54.09 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 67.1 m -46.61 -46.47 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -58.32 -45.45 88.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.424 ' O ' HG21 ' A' ' 188' ' ' VAL . 1.7 tp60 -63.56 -49.06 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.37 84.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.21 -45.67 75.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.47 -43.66 84.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.517 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -60.98 -36.9 80.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.7 m -65.01 -53.26 48.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.644 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -57.29 -35.21 69.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.644 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.37 -38.63 65.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.3 tt -55.96 -42.83 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 12.2 mt -78.85 -28.73 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.77 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -147.79 -71.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.39 -177.4 31.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -90.9 -17.45 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.595 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -50.32 -46.3 83.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.253 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.95 -40.49 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.62 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.04 -39.2 94.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.558 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 20.8 t-20 -79.63 -20.23 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.4 ttt180 -96.67 -53.21 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.635 ' C ' ' H ' ' A' ' 190' ' ' ALA . 60.4 t -88.14 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 26.6 t-80 -69.8 22.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.635 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -97.93 -31.02 12.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.604 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.531 0.205 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.63 145.55 2.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.58 108.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.35 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 168.79 24.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -118.65 136.4 53.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -108.11 139.87 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 2.7 t -122.46 142.96 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.18 118.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.37 109.24 3.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.556 ' CD2' ' CD2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -96.57 112.46 24.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 0.754 . . . . 0.0 109.348 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -140.48 -147.42 4.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.616 ' ND2' ' CG ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -121.76 131.2 24.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.02 66.7 6.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . 60.15 138.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.388 1.055 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 162.59 130.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -51.85 -26.32 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 151' ' ' LEU . 1.6 t80 -85.37 -20.07 30.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -73.41 -40.69 64.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -37.32 -45.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 36.8 p -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.595 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 150.01 -11.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.616 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 1.7 t-160 -53.62 -5.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.61 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.595 ' H ' ' C ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -115.91 79.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.549 ' CD2' ' OD1' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -121.74 -52.41 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.517 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -41.92 -67.94 0.77 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CE1' ' NZ ' ' A' ' 64' ' ' LYS . 22.2 t80 -71.36 -26.14 62.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.786 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -64.8 -40.72 90.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.3 t -74.2 -52.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -44.48 88.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 34' ' ' ALA . 46.2 t0 -62.71 -43.02 99.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.626 1.204 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.4 -59.68 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.2 mt -56.33 -34.71 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.495 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -76.34 -20.96 56.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -31.84 41.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -84.86 -43.79 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -18.56 48.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 94.74 -39.52 2.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.495 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . . . 60.21 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.372 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.27 14.69 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CE2' ' CD ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -58.05 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -158.1 -164.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.24 103.29 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -37.12 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -38.26 80.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 2.6 m -89.8 -43.03 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.12 54.93 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.576 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 179.46 174.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 0.713 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CD ' ' CE2' ' A' ' 40' ' ' PHE . 1.8 tt0 -87.06 149.74 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 15.4 m -139.34 119.33 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -127.06 112.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -92.12 160.54 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.499 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -153.2 -163.6 11.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 7.5 mtp180 -160.79 131.88 5.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 0.746 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.456 ' HB3' ' CD1' ' A' ' 177' ' ' ILE . 1.4 m 170.95 -178.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.28 20.14 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 73.08 42.42 43.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 mmt-85 175.84 154.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -67.44 170.3 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 2.4 pp -146.43 127.81 14.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 6' ' ' LEU . 28.1 t -109.06 107.82 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 1.2 tm? -101.57 120.91 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -125.23 161.83 26.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.652 ' NZ ' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -170.01 110.58 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.64 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.511 ' C ' ' N ' ' A' ' 68' ' ' TYR . 33.2 mmt180 -88.19 -86.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -44.08 -23.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.757 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.0 m-85 64.17 -80.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.417 ' CE ' ' CG ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER -36.0 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.55 -37.82 71.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -56.38 -40.11 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.757 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.8 t -70.37 -57.52 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.615 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.36 -52.66 3.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.993 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 0.753 . . . . 0.0 110.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.597 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 16.8 tp60 -45.1 -48.99 12.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.783 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -68.69 -46.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.22 -66.74 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.993 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.01 -46.73 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.449 1.763 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.508 HD13 ' NE2' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.53 -39.67 67.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.783 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.57 -50.99 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.48 -15.23 61.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.662 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.6 t80 -78.0 -43.8 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -81.57 -10.13 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 t 52.91 46.39 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -95.61 174.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.64 154.59 65.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.607 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.05 -30.2 7.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.36 3.79 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.582 ' O ' ' N ' ' A' ' 6' ' ' LEU . 13.0 m120 -104.31 -14.59 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.497 ' CD1' HD11 ' A' ' 76' ' ' ILE . 1.1 mm -91.72 135.1 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.49 ' CD1' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -135.3 117.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.3 p -104.61 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.568 ' CG2' ' HB ' ' A' ' 133' ' ' VAL . 0.8 OUTLIER -104.13 145.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.543 ' CD2' HD12 ' A' ' 10' ' ' LEU . 8.6 t-160 -156.66 -178.88 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.549 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 5.7 t70 -103.25 146.13 28.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 135' ' ' ILE . 4.3 t0 -154.88 166.22 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 150' ' ' VAL . 1.3 mp -100.77 106.67 18.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CB ' ' HA3' ' A' ' 136' ' ' GLY . 20.5 t0 -98.36 -73.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.43 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 4.1 mp -135.72 -94.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -88.0 169.45 11.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.404 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -84.09 96.61 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.655 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 135.47 44.97 0.1 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.551 ' NH1' ' CZ3' ' A' ' 191' ' ' TRP . 0.3 OUTLIER -133.35 158.04 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.511 ' CG2' ' CD1' ' A' ' 165' ' ' ILE . 1.4 pt -116.42 163.58 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.7 tpt180 -149.71 97.56 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.459 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.79 129.74 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.89 172.91 17.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.563 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.2 tp -97.49 -92.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.563 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -42.92 -78.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.31 -103.19 1.56 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -164.46 -61.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 3.5 tp10 84.56 -66.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.82 108.68 0.25 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 166.47 -87.52 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.417 ' CG ' ' CE ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -62.22 152.15 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.596 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.24 -62.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.47 -50.63 10.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.587 ' O ' HG11 ' A' ' 121' ' ' VAL . 11.1 mt -58.97 -43.58 91.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.47 ' O ' HG11 ' A' ' 122' ' ' VAL . 1.6 ttt180 -66.16 -31.67 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 16.3 t -73.97 -28.42 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.615 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.66 -42.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER -67.45 -43.0 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.413 ' N ' HG12 ' A' ' 122' ' ' VAL . . . -72.13 -35.99 69.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.47 -48.26 61.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.435 ' CD1' ' CG2' ' A' ' 76' ' ' ILE . 10.5 mt -81.73 -20.67 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 76.62 3.18 78.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.61 145.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? 175.97 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 61.64 96.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.607 ' CZ ' ' HB3' ' A' ' 87' ' ' PRO . 17.3 m-85 -124.9 171.93 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.471 ' CG ' HD11 ' A' ' 108' ' ' ILE . 73.2 mt-30 -107.14 154.06 21.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.74 149.64 35.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.568 ' HB ' ' CG2' ' A' ' 93' ' ' ILE . 9.9 t -131.25 85.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 105' ' ' ARG . 4.0 mpp_? -89.02 146.44 24.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.573 ' O ' ' N ' ' A' ' 96' ' ' ASP . 3.0 mt -98.33 148.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.45 93.78 0.98 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.617 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.01 99.58 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 64.08 172.59 2.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 98' ' ' ASP . 7.9 ptt180 -154.11 151.94 25.54 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.44 0.729 . . . . 0.0 110.302 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 145.94 32.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.96 -19.79 17.6 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.467 1.772 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 164.9 -60.18 0.25 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 111.07 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -161.32 57.17 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.763 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.36 -53.98 2.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.461 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 1.2 m-20 169.37 96.04 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.248 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -65.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.15 -41.07 74.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -59.13 -39.36 82.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 10.8 t80 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.443 HG21 ' CD1' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.22 -30.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.577 ' HG ' ' CZ ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -96.17 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.7 mm-40 -72.83 -107.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.583 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 14.8 t30 151.75 46.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.644 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.3 OUTLIER -74.94 28.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.14 -52.0 0.1 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.3 Cg_endo -74.94 -67.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.619 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -42.14 34.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.9 mt-10 -72.59 -32.47 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.85 -42.99 90.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.21 -34.56 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.558 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 12.3 mm-40 -75.83 -37.0 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -53.09 -50.44 82.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.94 -29.01 8.79 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.554 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.9 m -60.74 -59.46 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.558 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.73 -51.67 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.495 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 52.1 m -46.92 -48.03 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 108.328 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.9 94.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.447 ' CG ' HG13 ' A' ' 188' ' ' VAL . 3.2 tp60 -64.45 -47.5 78.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.63 81.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.95 93.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.0 -41.24 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.558 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -59.2 -41.08 87.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.0 m -65.18 -53.0 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.2 pt-20 -57.02 -47.72 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.98 -36.52 83.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.594 1.184 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 1.3 tt -56.3 -49.67 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 15.0 mt -67.13 -30.87 50.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -69.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -121.92 -71.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -154.11 -176.68 26.73 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 12.4 ptp -92.55 -13.95 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.401 0.707 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.1 mt-10 -53.18 -44.33 96.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.12 -39.16 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.537 1.809 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.647 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.42 -37.78 88.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.5 tt0 -72.27 -39.91 68.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 12.8 t30 -78.99 -20.08 50.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -97.91 -52.53 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' A' ' 184' ' ' ALA . 21.7 t -87.57 -57.02 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.575 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.5 t-80 -70.43 22.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.616 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -101.19 -36.08 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.655 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.1 p-90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.471 0.177 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.43 151.67 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 65.96 142.69 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.02 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -130.26 137.57 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -116.43 141.64 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.524 ' CG1' HG13 ' A' ' 91' ' ' ILE . 6.9 m -133.79 141.55 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.487 HG23 ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.43 125.34 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.44 105.33 3.07 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.594 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -89.35 96.01 10.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.81 -152.46 8.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 22' ' ' HIS . 1.2 t30 -134.7 126.47 18.02 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.4 Cg_endo -74.93 153.51 42.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.594 1.839 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 15' ' ' ALA . . . 75.73 126.52 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -58.68 -140.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 0.806 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 57.52 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CE2' HD13 ' A' ' 151' ' ' LEU . 3.1 t80 -71.88 -19.17 61.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.45 -38.25 68.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -41.49 -30.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.46 ' CG2' HD11 ' A' ' 151' ' ' LEU . 23.9 p -76.52 25.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.597 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER 67.56 10.49 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -63.97 5.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.597 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.2 m-20 -121.23 29.84 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' CD2' ' NE ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -52.52 -64.37 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -35.41 -61.02 0.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CE1' ' OE2' ' A' ' 49' ' ' GLU . 18.2 t80 -67.35 -33.58 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -66.01 -42.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 t -69.02 -53.29 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 62' ' ' LEU . . . -56.96 -47.1 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.3 t70 -60.4 -36.12 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -62.86 -62.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.435 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 7.1 mt -53.97 -26.52 26.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -87.97 -23.83 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -91.85 -4.98 54.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -111.98 -41.68 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.581 ' HG ' ' H ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -82.76 -17.07 45.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.12 -0.3 78.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.581 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -31.1 147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.37 68.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.7 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -78.6 -167.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.27 -177.38 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -154.57 81.05 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.488 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.8 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.598 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.39 -173.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.498 ' CG ' HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER 85.13 -26.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.522 ' CB ' ' CD1' ' A' ' 79' ' ' LEU . 1.6 t 165.15 -25.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 119.66 57.19 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 178.27 -170.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.621 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.7 mt-10 -76.49 143.4 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 50' ' ' VAL . 31.1 m -155.69 118.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.7 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -119.96 110.11 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.05 123.51 44.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.06 -162.54 10.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 2.2 mtt85 -152.18 131.41 12.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 0.77 . . . . 0.0 110.23 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 6.6 m -170.02 -173.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.532 ' CB ' ' CG2' ' A' ' 177' ' ' ILE . . . 44.59 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 66.66 43.88 90.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.0 154.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.501 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -56.57 169.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.4 pp -153.92 117.58 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.501 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 41.4 t -106.65 98.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.9 OUTLIER -99.58 104.94 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -126.64 175.98 7.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -179.03 123.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.697 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.01 -158.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.495 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.0 mmt180 -80.98 -84.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.61 -18.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.344 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.697 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.9 m-85 61.27 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.501 ' N ' ' O ' ' A' ' 67' ' ' CYS . 66.6 ttp -40.93 -96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.8 -31.58 71.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.547 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -58.92 -45.52 90.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.646 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 34.2 t -68.95 -36.0 77.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.532 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -55.83 -51.53 54.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 1.057 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -82.19 -36.3 27.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.0 mm-40 -61.02 -46.11 92.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.785 ' O ' ' N ' ' A' ' 80' ' ' ALA . 76.8 mt -71.08 -50.6 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.44 -62.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 1.057 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.522 ' CD1' ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -56.15 -39.51 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.785 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.03 -49.04 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -74.84 -18.09 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.655 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -72.67 -45.46 58.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.499 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 14.2 m-85 -81.62 -9.13 59.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.8 t 55.61 50.21 14.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.499 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 21.8 t -103.47 167.71 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.62 155.42 62.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.4 1.94 14.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.605 1.191 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.622 ' O ' ' N ' ' A' ' 6' ' ' LEU . 29.6 m120 -107.94 -24.8 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 22.9 mt -86.87 132.41 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.524 HG13 ' CG1' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -137.9 120.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.5 p -105.1 131.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.548 ' CG1' ' HA2' ' A' ' 25' ' ' GLY . 0.7 OUTLIER -106.26 151.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.594 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 8.8 t-160 -154.13 172.29 17.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.577 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.504 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -103.26 141.36 36.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -155.11 170.26 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.455 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 0.3 OUTLIER -107.04 132.03 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 139' ' ' ARG . 14.6 t0 -126.6 -67.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.419 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 mp -133.95 -97.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.73 178.01 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -92.77 71.99 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 168.81 41.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.633 ' HD3' ' CZ2' ' A' ' 191' ' ' TRP . 10.5 mmt85 -135.71 161.68 34.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.0 OUTLIER -123.63 163.28 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.28 98.26 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -108.3 142.2 38.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 167.48 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.533 ' C ' ' CD1' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -119.6 -82.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.49 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.93 -35.13 31.58 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -42.11 97.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.36 156.13 26.71 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -39.5 -59.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.68 -51.71 4.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.581 1.176 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.51 58.8 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -130.22 127.17 39.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.552 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.27 64.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.411 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -65.41 -58.15 10.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.56 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 3.8 ttt-85 -59.97 -35.19 74.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.075 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.2 t -69.66 -30.38 68.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.505 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.7 t -71.96 -42.3 68.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 127' ' ' THR . 12.9 t -73.79 -28.96 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.43 62.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.407 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.496 HD22 ' CB ' ' A' ' 80' ' ' ALA . 29.3 mt -78.09 -25.09 47.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 61.05 10.94 23.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.522 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 0.1 OUTLIER -103.45 -154.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.607 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -176.69 62.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -149.87 16.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 127' ' ' THR . 0.6 OUTLIER -85.67 156.77 20.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -102.89 157.84 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.28 147.41 45.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.8 t -135.51 84.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 105' ' ' ARG . 9.3 mtp180 -86.31 160.38 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.526 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.1 mp -112.47 154.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -109.72 96.27 0.94 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.131 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.669 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -105.85 101.85 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 61.48 179.3 3.1 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -152.61 150.77 25.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 110.347 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.455 ' HD3' ' CD1' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 143.58 29.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -30.4 7.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 174.1 -85.37 0.08 OUTLIER Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -137.3 69.18 1.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.777 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.11 -66.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.8 OUTLIER 177.39 95.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.64 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -59.18 -39.15 81.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.443 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.4 t80 -75.78 -22.49 56.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.95 -26.7 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -91.18 39.43 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.8 mm-40 -66.91 -105.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.637 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 12.1 t30 143.85 46.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.633 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.97 28.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -20.78 -52.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.472 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.515 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.91 -71.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.633 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.82 11.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.8 mt-10 -75.41 -30.66 60.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.97 -45.14 91.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.464 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.66 -34.48 53.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.637 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.1 mm-40 -75.38 -37.18 60.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.673 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -53.7 -52.16 69.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -26.76 10.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.637 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.3 m -64.69 -60.16 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.76 -54.36 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 67.7 m -45.99 -49.07 16.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -56.58 -47.31 79.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.416 ' O ' HG23 ' A' ' 188' ' ' VAL . 19.8 mm-40 -61.44 -47.46 85.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.55 94.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.61 70.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -66.99 -44.79 79.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.573 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.53 -42.69 88.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.527 ' O ' ' CD1' ' A' ' 177' ' ' ILE . 92.1 m -61.88 -52.28 64.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.5 OUTLIER -59.67 -47.11 86.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.499 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.09 -42.72 88.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.541 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.3 tt -49.22 -50.94 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.532 ' CG2' ' CB ' ' A' ' 56' ' ' ALA . 1.8 mt -76.22 -23.5 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.76 -31.94 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.223 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -158.57 -71.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -154.99 170.76 33.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.5 ptm -89.01 -18.81 26.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.79 -47.59 72.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -39.96 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.59 -37.0 85.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.519 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.2 tt0 -71.9 -41.17 68.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.561 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 24.5 t-20 -78.89 -20.68 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -95.37 -52.39 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.687 ' O ' ' CE3' ' A' ' 191' ' ' TRP . 41.9 t -89.77 -59.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.519 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 16.4 t-80 -66.8 23.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.681 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -107.58 -33.53 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.687 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 mtt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.503 0.192 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.81 123.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 5.8 pt-20 -170.66 64.26 0.44 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 -172.94 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -136.26 140.84 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -112.62 142.09 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -130.36 145.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -134.96 123.6 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -95.4 113.2 4.56 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.674 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 4.8 mt -89.38 108.23 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 0.718 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 68' ' ' TYR . . . -117.54 -170.61 15.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -134.03 116.33 13.37 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 78.94 -148.87 32.17 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.459 1.1 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' CA ' ' HB2' ' A' ' 18' ' ' ALA . . . -112.11 -73.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.402 ' O ' ' HB ' ' A' ' 20' ' ' THR . 4.1 p-10 -53.04 -42.13 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.502 ' CD1' ' CG ' ' A' ' 12' ' ' ASN . 1.4 m-85 -83.51 -16.28 46.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -48.6 -24.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.872 ' O ' ' N ' ' A' ' 21' ' ' ARG . 14.1 mmt85 -140.62 -98.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.585 ' CG2' ' N ' ' A' ' 21' ' ' ARG . 1.2 t 51.87 -57.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.872 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.4 ppt_? 168.71 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 21' ' ' ARG . 71.1 m80 -71.45 13.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.551 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 21' ' ' ARG . 64.0 t30 -110.88 16.65 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.554 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -60.41 -42.62 96.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.537 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -46.56 -60.62 4.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.625 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 8.4 t80 -75.84 -26.83 57.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 12.2 t -71.08 -40.61 75.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.3 t -70.73 -53.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.469 ' CB ' HD12 ' A' ' 62' ' ' LEU . . . -57.24 -32.74 66.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -67.65 -48.72 65.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.15 -56.6 13.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.439 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -56.53 -50.5 71.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.52 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -71.27 -38.97 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -84.51 -43.59 14.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -169.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.54 27.21 15.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -87.91 119.59 28.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -97.98 11.46 37.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.629 ' CD1' ' HB3' ' A' ' 51' ' ' ALA . 23.0 m-85 57.51 147.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -121.8 178.38 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -158.02 136.76 11.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.1 m80 -142.45 162.71 34.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' GLY . 3.7 ttmt -80.12 -178.99 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' A' ' 47' ' ' GLY . 0.9 OUTLIER 48.1 -126.62 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.477 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 4.3 p -78.66 13.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -66.14 -72.26 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.548 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 59.25 -166.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -85.4 148.18 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -163.71 132.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.629 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . . . -123.53 122.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.41 161.77 24.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 1.14 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.546 ' HA3' ' CD2' ' A' ' 60' ' ' LEU . . . -153.4 117.51 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -111.89 103.53 11.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.545 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 179.87 -170.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.981 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 57.69 17.69 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.66 34.95 55.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 178.19 157.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -83.09 167.09 18.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD2' ' HA3' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -149.42 126.1 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.504 ' CG1' HD13 ' A' ' 6' ' ' LEU . 69.9 t -105.73 110.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.3 tm? -104.26 125.31 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -127.21 166.89 16.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.226 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.625 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.69 110.7 0.19 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.633 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -75.0 -156.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.511 1.795 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' C ' ' N ' ' A' ' 68' ' ' TYR . 18.0 mmt180 -82.13 -84.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -46.25 -19.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.323 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 72' ' ' SER . 7.4 m-85 61.81 -81.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.521 ' HA ' ' CD2' ' A' ' 10' ' ' LEU . 47.6 ttm -35.23 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.518 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.4 m-20 -68.73 -39.85 80.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -52.67 -38.34 60.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.702 ' N ' ' O ' ' A' ' 68' ' ' TYR . 21.8 t -74.42 -45.76 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.538 ' HA2' ' HA ' ' A' ' 121' ' ' VAL . . . -46.3 -50.22 13.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.925 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.37 -55.34 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.228 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.509 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 2.2 tt0 -39.42 -49.75 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.727 ' O ' ' N ' ' A' ' 80' ' ' ALA . 57.2 mt -67.12 -43.67 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.404 1.065 . . . . 0.0 109.199 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.94 -68.88 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.925 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 46' ' ' SER . 1.7 mt -51.97 -40.07 60.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.727 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.57 -50.24 59.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -16.62 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.72 ' N ' ' O ' ' A' ' 78' ' ' PRO . 8.2 t80 -75.77 -44.11 43.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -80.63 -13.85 58.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.3 t 52.85 46.45 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.3 p -97.75 170.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.73 157.76 66.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.646 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -31.44 6.25 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -71.33 -3.18 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 6' ' ' LEU . 66.6 m-20 -103.37 -29.25 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.558 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 mt -89.19 134.58 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -138.01 139.21 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.417 ' HA ' HG23 ' A' ' 8' ' ' VAL . 1.1 p -118.48 122.91 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.537 ' CD1' ' HA2' ' A' ' 25' ' ' GLY . 1.2 pt -100.96 141.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.674 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -154.41 166.23 33.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.587 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.459 ' CG ' ' CD1' ' A' ' 24' ' ' LEU . 39.7 t0 -109.42 140.25 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.567 ' O ' HG13 ' A' ' 137' ' ' ILE . 1.5 t70 -150.98 150.42 30.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.541 ' CD1' ' NH2' ' A' ' 139' ' ' ARG . 0.6 OUTLIER -76.65 116.0 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 14.2 t0 -114.54 -83.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.402 1.064 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -134.16 -73.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' A' ' 102' ' ' GLY . 1.6 tm-20 -87.66 162.41 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.506 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.92 29.23 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 100' ' ' GLU . . . -160.59 48.25 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.544 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.2 tpp85 -130.69 164.24 25.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.807 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.2 pp -125.24 163.37 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.5 tpt85 -149.97 98.16 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.505 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.94 138.19 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 106' ' ' LEU . 14.2 mtpt -154.43 179.32 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.565 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -106.16 -56.38 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.565 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -100.73 -63.28 0.79 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.85 92.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.64 -46.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 28.7 tt0 -43.39 -60.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 38.1 -112.33 0.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.7 54.42 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 1.4 m80 -117.93 119.52 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -64.04 -52.92 57.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.456 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -51.1 -58.35 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.48 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 6.0 mt -52.02 -45.24 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -45.82 89.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -61.37 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.538 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 11.0 t -68.9 -44.7 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 126' ' ' GLY . 12.9 t -68.61 -25.09 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.37 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -79.0 -42.15 27.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.62 ' CD1' ' CE2' ' A' ' 130' ' ' PHE . 21.9 mt -78.94 -22.49 45.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.18 9.39 67.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.411 1.07 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 82.15 111.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 87' ' ' PRO . 17.9 tptt -132.61 19.63 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.551 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 94.2 m-20 66.86 21.08 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.624 1.202 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.646 ' CD1' ' HA ' ' A' ' 87' ' ' PRO . 28.8 m-85 -51.46 169.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 29.6 mt-30 -95.57 155.66 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -141.81 148.48 38.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.4 t -136.21 82.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -88.91 142.92 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.581 HG21 ' N ' ' A' ' 136' ' ' GLY . 5.0 mp -98.89 148.41 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.581 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -103.65 105.92 2.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.619 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 2.7 pp -118.8 71.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . -73.83 -162.51 8.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.143 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.541 ' NH2' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -177.93 155.82 1.05 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.279 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.89 3.66 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 139' ' ' ARG . 18.4 Cg_endo -74.94 -171.25 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.77 43.02 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 52.51 20.12 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -85.84 -77.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.3 OUTLIER 177.13 96.93 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.41 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.85 -43.27 96.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -61.2 -42.57 98.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -23.58 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.487 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -75.32 -36.25 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.524 ' CD2' ' O ' ' A' ' 151' ' ' LEU . 6.8 tt -114.14 35.78 4.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 9.6 tm-20 -66.87 -88.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.641 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.1 t30 152.49 50.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.661 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.3 OUTLIER -66.93 25.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.641 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -25.03 -51.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.3 Cg_endo -75.01 -67.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.503 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -43.94 38.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.71 -28.81 61.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.018 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.92 -45.39 86.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.449 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -79.46 -33.29 42.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.622 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 7.9 tp10 -75.3 -36.5 61.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.175 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -56.06 -52.4 72.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.018 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.01 -25.23 12.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.622 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.5 m -61.67 -59.47 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.534 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -71.69 -50.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 170' ' ' ALA . 60.4 m -47.86 -46.55 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.266 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -62.96 -45.31 93.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.528 ' HB3' ' CZ2' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -65.1 -46.68 80.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -70.7 -36.46 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -48.1 77.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -67.55 -40.67 84.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.638 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -65.39 -36.08 82.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.2 m -64.16 -50.48 68.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.25 -48.01 79.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.61 -40.17 88.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.9 tt -49.6 -50.02 44.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.9 mm -79.08 -21.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.464 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 11.5 tm-20 -59.04 -41.59 88.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -142.33 -71.33 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -153.99 175.82 32.11 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.82 -13.13 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.384 0.697 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.15 -47.78 65.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.05 -36.63 2.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.702 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.6 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -68.91 -39.04 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.541 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 58.0 t30 -81.9 -23.82 36.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 1.6 ttt180 -94.68 -55.48 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.702 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -73.97 -50.71 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.6 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.15 16.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.579 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -75.31 -47.31 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.578 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 34.4 p90 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpp? . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.469 0.176 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 175.31 -171.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -98.89 124.84 44.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.95 176.47 9.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -135.14 139.27 44.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.637 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -109.05 144.58 36.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.503 ' CG1' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -129.41 141.29 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -135.0 122.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' HA2' ' CG2' ' A' ' 93' ' ' ILE . . . -88.62 105.29 3.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.588 1.18 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.535 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -86.6 100.27 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 68' ' ' TYR . . . -119.76 -165.02 12.84 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' A' ' 14' ' ' GLY . 1.6 m-80 -136.98 118.93 11.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.592 0.819 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.432 ' CG ' ' HA ' ' A' ' 67' ' ' CYS . 18.1 Cg_endo -75.08 14.81 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.573 ' HA3' ' CE2' ' A' ' 17' ' ' TYR . . . -60.09 -141.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -156.17 -98.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -36.59 -66.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.593 ' O ' ' CG2' ' A' ' 20' ' ' THR . 1.2 p90 -68.66 -23.57 64.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.66 -25.84 66.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' C ' ' H ' ' A' ' 21' ' ' ARG . 3.3 tpt180 -73.96 -25.28 59.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.68 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 5.8 t -63.15 -3.2 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.68 ' CB ' ' O ' ' A' ' 20' ' ' THR . 10.3 tpp180 101.7 9.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 3.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.3 t-20 -121.49 37.99 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -52.37 -62.63 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -38.81 -62.79 1.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.617 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.8 t80 -65.5 -30.13 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 0.727 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 4.9 t -69.14 -42.35 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.497 HG12 ' CD1' ' A' ' 93' ' ' ILE . 4.1 p -79.69 -34.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.423 ' N ' HG11 ' A' ' 28' ' ' VAL . . . -65.38 -45.05 85.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 19.8 t0 -70.76 -43.4 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -55.12 -53.24 58.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.45 -59.69 4.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -60.46 -18.2 49.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -83.04 -26.1 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -101.11 -42.83 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -22.37 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.9 -2.83 82.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.498 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -33.02 151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -133.58 39.45 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.707 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -58.58 -149.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.3 -163.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' CB ' ' OE1' ' A' ' 49' ' ' GLU . . . -135.79 120.16 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 10.8 t-160 -177.27 -121.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.675 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 64.53 140.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -37.76 -31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.486 ' CB ' HD21 ' A' ' 79' ' ' LEU . 10.9 p -63.16 -53.87 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 96.82 69.46 1.0 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -165.24 -176.73 4.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.648 ' OE2' ' CE2' ' A' ' 40' ' ' PHE . 34.4 tp10 -86.62 152.6 22.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.1 p -172.44 156.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.707 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -144.75 128.41 17.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 126.11 35.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -128.92 110.86 1.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 55' ' ' SER . 3.0 mtp180 -115.96 108.16 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.618 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER 164.99 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 68.37 6.84 5.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.66 19.3 35.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.618 ' O ' ' O ' ' A' ' 55' ' ' SER . 3.6 tpm_? -178.9 159.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -80.91 171.86 14.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.958 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -157.87 121.86 4.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 ' CD1' ' A' ' 6' ' ' LEU . 33.7 t -108.74 98.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.47 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -95.0 112.87 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -122.88 169.35 11.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.484 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 175.21 115.48 0.11 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.672 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.05 -153.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.57 1.826 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.0 mmt180 -88.23 -86.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.444 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -44.1 -24.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 108.385 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.2 m-85 64.31 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' TYR . 35.4 ttm -27.25 -94.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.42 -33.86 74.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.8 mt-10 -61.7 -28.81 69.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.6 t -80.82 -51.22 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -48.88 -49.59 28.53 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.973 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.5 -46.92 36.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 0.719 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.7 tm0? -45.09 -49.81 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.772 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 mt -68.01 -44.66 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.52 -68.11 0.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.973 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.0 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.486 HD21 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.51 -41.17 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.772 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.86 -50.16 63.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -18.17 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.674 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.2 t80 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -79.67 -7.71 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 56.48 53.02 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 158.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.18 157.47 62.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.793 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.95 -15.36 20.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 129' ' ' ASP . . . -67.23 -8.45 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.637 ' O ' ' N ' ' A' ' 6' ' ' LEU . 76.9 m-20 -108.28 -22.49 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.534 ' CG1' ' HB3' ' A' ' 6' ' ' LEU . 7.7 mt -87.13 136.77 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.407 1.067 . . . . 0.0 109.215 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.57 141.4 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.6 p -119.12 136.59 55.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 4.3 tt -112.7 144.32 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.535 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 8.0 t-160 -153.58 172.77 16.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.557 1.161 . . . . 0.0 109.65 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.545 ' OD1' ' C ' ' A' ' 95' ' ' ASP . 0.4 OUTLIER -96.27 143.02 27.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 6.1 t0 -150.26 160.03 44.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.491 ' CD1' ' CB ' ' A' ' 146' ' ' PRO . 0.9 OUTLIER -104.2 108.98 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 139' ' ' ARG . 3.7 m-20 -99.47 -78.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.421 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -135.72 -87.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -88.94 172.44 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.582 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -92.08 99.26 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.08 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.447 ' HA2' ' CG2' ' A' ' 165' ' ' ILE . . . 135.17 48.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.531 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.7 OUTLIER -134.52 155.06 51.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.79 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.55 ' CG2' ' CD1' ' A' ' 165' ' ' ILE . 1.9 pp -121.98 155.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -144.87 106.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.493 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.66 139.78 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -150.33 -179.41 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -134.48 -88.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.445 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -87.71 39.68 3.1 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.87 92.52 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.26 38.82 1.19 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.58 104.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.292 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.68 -62.47 1.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.18 54.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.69 142.63 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -56.43 -32.33 64.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.11 -59.02 11.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.7 mt -55.17 -49.8 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -58.04 -36.09 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 124' ' ' ALA . 7.4 t -72.35 -30.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.461 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 26.7 t -66.75 -45.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 126' ' ' GLY . 28.4 t -74.11 -28.86 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.85 47.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.22 -47.5 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.491 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -84.1 -24.74 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 66.35 5.76 30.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.459 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 0.2 OUTLIER -92.84 -157.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.442 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.2 tptt -169.89 74.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -166.48 20.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.793 ' CD2' ' HB3' ' A' ' 87' ' ' PRO . 3.8 m-85 -80.71 158.09 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -101.17 156.56 17.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.411 ' O ' HG22 ' A' ' 133' ' ' VAL . 6.5 mtt-85 -133.71 148.03 51.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.7 t -144.17 83.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.238 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.5 OUTLIER -91.99 142.21 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.531 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 5.1 mp -99.27 149.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.511 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -104.25 100.04 1.77 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.2 pp -113.39 98.84 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 60.38 174.51 1.04 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.437 1.085 . . . . 0.0 111.08 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER 171.46 132.24 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.429 ' N ' ' HG3' ' A' ' 139' ' ' ARG . 18.0 Cg_endo -75.1 168.4 24.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.0 -35.18 3.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 144' ' ' LYS . . . -170.1 -132.64 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.67 73.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 142' ' ' GLY . 1.0 OUTLIER -120.02 -76.07 0.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 53.6 p-10 175.22 80.87 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.573 1.17 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.491 ' CB ' ' CD1' ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.05 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.02 -42.13 79.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.94 99.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 8.0 t80 -75.52 -23.11 56.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.405 HG22 ' CD2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.17 -31.46 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 3.9 mt -97.49 42.93 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 14.2 mm-40 -74.55 -106.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.575 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 7.8 t-20 153.27 47.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.644 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.86 28.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.576 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.94 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.362 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.497 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -75.08 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.644 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.54 -41.31 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.675 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -75.16 -29.76 60.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.73 -44.58 90.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.371 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.48 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -78.93 -34.13 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.57 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 5.6 mm-40 -75.62 -36.29 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.675 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -55.28 -51.36 80.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.97 -25.89 11.49 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -61.18 -61.21 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.55 ' CD1' ' CG2' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -70.3 -45.38 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 28.3 m -49.55 -48.51 48.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.1 tt0 -61.15 -47.07 87.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.612 ' OE1' ' CD1' ' A' ' 191' ' ' TRP . 0.4 OUTLIER -63.69 -47.74 79.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.66 -38.16 86.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.39 -41.41 80.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.53 -44.11 79.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.362 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.561 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.27 -42.36 86.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 16.3 m -65.22 -52.67 53.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.02 -46.33 85.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.497 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.484 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 3.2 tt -51.3 -50.95 58.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 11.0 mm -71.39 -25.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.392 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.05 -41.33 82.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.94 -71.95 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -162.08 175.35 38.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -87.2 -22.17 25.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -43.28 -51.0 14.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.96 -38.64 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.758 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.606 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.73 -37.22 86.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.561 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.2 tt0 -72.38 -41.15 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.537 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 22.0 t-20 -78.35 -21.05 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -95.54 -52.94 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 1.177 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.677 ' O ' ' CE3' ' A' ' 191' ' ' TRP . 21.8 t -88.76 -58.8 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.4 t-80 -67.24 23.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.647 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -103.59 -36.64 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.683 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.054 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.441 0.162 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.93 -64.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -172.65 91.4 0.39 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.052 . . . . 0.0 110.314 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.88 27.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.46 135.76 47.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.39 140.64 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 3.0 t -121.56 141.98 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.98 123.33 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.407 ' HA2' HG22 ' A' ' 93' ' ' ILE . . . -98.1 115.72 5.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -101.07 95.69 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.426 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -120.07 -142.78 6.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' HIS . 4.4 m120 -138.96 128.05 14.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.689 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -9.56 20.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . -53.82 -110.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 19' ' ' ARG . . . 162.62 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 1.6 m120 -38.83 -61.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.81 -19.52 57.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.069 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB1' ' CA ' ' A' ' 15' ' ' ALA . . . -74.03 -27.79 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 15' ' ' ALA . 2.5 tpt180 -59.24 -54.34 47.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.891 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 70.1 p -29.52 -40.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.891 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 150.51 -1.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -63.52 5.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' ARG . 2.2 t-20 -127.68 42.84 3.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.517 ' CD2' ' OD1' ' A' ' 95' ' ' ASP . 0.3 OUTLIER -65.6 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.81 -42.31 4.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.554 1.159 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -79.29 -34.55 42.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 0.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 2.6 t -67.26 -38.4 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.194 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.78 -52.52 22.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -56.01 -46.96 78.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 34' ' ' ALA . 18.4 t0 -60.56 -43.13 97.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.87 -59.92 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -52.54 -50.91 61.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.2 66.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -72.19 -38.76 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -43.87 14.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.9 -164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -92.71 -11.58 59.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.28 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 87.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.735 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -149.82 -157.82 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -117.12 177.33 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . 167.22 110.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 174.86 -150.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.685 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' ARG . 5.9 tptp -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -34.08 -55.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.4 p -113.94 -20.53 11.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' ' 48' ' ' ALA . . . 104.63 36.24 3.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 47' ' ' GLY . . . 161.63 -170.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.523 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -88.13 144.84 26.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -142.71 104.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.735 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -104.16 104.03 13.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.534 ' CG2' ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.98 126.19 46.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.81 -163.23 9.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.0 ttp180 -151.33 131.11 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 0.718 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -163.25 -179.51 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' CB ' ' HB ' ' A' ' 177' ' ' ILE . . . 43.29 25.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.64 51.83 28.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 175.36 154.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.0 172.26 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.62 126.15 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.534 ' CG2' ' CG2' ' A' ' 52' ' ' THR . 6.6 t -109.52 101.11 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.459 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -101.21 107.45 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -121.31 172.76 7.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.48 123.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.779 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.0 -156.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.807 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.689 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -84.31 -82.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 110.233 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -47.44 -21.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 72' ' ' SER . 31.2 m-85 60.09 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 67' ' ' CYS . 37.0 ttm -30.87 -91.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -70.65 -32.59 69.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -60.98 -34.64 75.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.837 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.3 t -76.37 -50.86 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -47.22 -50.62 16.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.42 -46.56 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -46.25 -49.42 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 80' ' ' ALA . 54.3 mt -67.75 -46.51 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.23 -67.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.96 -46.48 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.757 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.92 -40.69 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.771 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.39 -50.33 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -15.86 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.706 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.4 t80 -76.03 -42.9 46.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.8 -0.64 35.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.4 t 51.87 46.07 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -125.81 163.09 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.225 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -89.18 154.62 49.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.508 ' CG ' ' CB ' ' A' ' 128' ' ' LYS . 18.4 Cg_endo -74.98 -5.47 16.84 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -62.35 -16.15 52.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.8 p30 -105.05 -18.59 14.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.419 ' CG1' ' HB3' ' A' ' 6' ' ' LEU . 32.0 mt -85.33 131.69 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.425 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -131.51 119.19 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 62.3 t -100.47 124.22 53.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -105.27 141.59 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.579 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.4 t-160 -147.15 -172.92 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.595 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.517 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 4.6 t70 -111.48 144.45 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -152.09 169.13 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.429 HD13 ' CZ ' ' A' ' 139' ' ' ARG . 1.3 pp -105.91 116.03 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' HB3' ' HA3' ' A' ' 136' ' ' GLY . 8.2 t0 -110.22 -83.36 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -129.38 -91.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.74 172.88 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -92.0 77.18 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.83 40.55 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.52 ' CD ' ' CH2' ' A' ' 191' ' ' TRP . 6.4 tpp85 -131.15 161.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 0.78 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.546 ' CG2' ' CD1' ' A' ' 165' ' ' ILE . 1.5 pp -123.85 165.29 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.63 101.02 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.72 138.89 39.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -148.22 177.77 9.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -113.71 -82.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.527 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -121.31 39.13 2.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . -49.02 -101.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.14 -115.77 1.75 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -163.73 86.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.471 ' N ' HD13 ' A' ' 118' ' ' LEU . . . -90.49 80.08 1.41 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.471 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . 151.06 -61.09 0.41 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.582 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER 83.96 -38.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 0.762 . . . . 0.0 109.588 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -52.66 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.43 ' O ' ' CG2' ' A' ' 121' ' ' VAL . . . -73.27 -27.52 67.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 113' ' ' GLY . 2.2 mt -64.09 -60.04 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 0.789 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.582 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.1 ttp85 -64.1 -36.15 83.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -59.99 -38.34 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.515 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 76.6 t -73.89 -39.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.553 HG22 ' CE2' ' A' ' 130' ' ' PHE . 9.3 t -72.93 -28.95 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . . . -75.93 -36.97 59.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.34 -48.39 15.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' A' ' 80' ' ' ALA . 5.0 mt -78.96 -21.97 46.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 73.72 1.73 59.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 81.11 130.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.577 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.7 mmtt -159.07 21.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 2.1 t70 89.63 22.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CE2' HG22 ' A' ' 122' ' ' VAL . 1.6 p90 -47.76 169.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 88' ' ' ALA . 71.5 mt-30 -112.77 155.47 24.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.454 ' NE ' ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -141.58 149.34 40.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 8.2 t -140.0 85.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.0 mpp_? -92.8 143.97 25.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' A' ' 96' ' ' ASP . 3.4 mp -100.32 149.65 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.5 ' N ' HG23 ' A' ' 135' ' ' ILE . . . -103.71 105.06 2.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.645 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.67 104.5 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . -52.38 -173.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.429 ' CZ ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER 177.93 157.32 0.54 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.579 0.811 . . . . 0.0 110.316 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 116.46 4.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.563 1.823 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 115.31 4.24 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.586 ' O ' ' CB ' ' A' ' 143' ' ' ARG . . . -134.14 -37.12 0.23 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.586 ' CB ' ' O ' ' A' ' 142' ' ' GLY . 2.3 ttt85 91.4 -3.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -59.09 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.472 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -149.31 101.5 3.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.413 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.96 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.23 99.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -63.36 -40.97 98.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -23.66 60.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.465 ' CG2' HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -78.21 -33.82 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.473 ' CD2' ' CZ ' ' A' ' 21' ' ' ARG . 1.2 mt -100.59 49.96 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 11.5 mt-10 -60.31 -102.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' A' ' 155' ' ' THR . 18.7 t-20 159.83 47.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.623 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.9 OUTLIER -71.48 27.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.581 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.3 OUTLIER -22.68 -52.12 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.497 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.97 -70.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.582 ' HB2' ' CD2' ' A' ' 154' ' ' PHE . . . -46.49 -41.76 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.703 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -74.67 -30.08 61.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.4 OUTLIER -58.92 -46.05 88.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.458 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -76.94 -34.48 57.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.594 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 4.9 mm-40 -76.01 -37.64 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.703 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -52.29 -50.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -28.57 8.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.566 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 11.1 m -61.51 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.594 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -69.09 -50.25 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.492 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 36.0 m -47.01 -47.04 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -44.65 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.4 ' O ' HG22 ' A' ' 188' ' ' VAL . 1.9 mm-40 -65.23 -49.29 70.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.06 -35.87 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -59.51 -41.93 91.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.39 -44.26 79.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.549 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.15 -43.77 87.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.4 m -60.61 -51.59 68.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.71 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.485 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.23 -42.12 89.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.446 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 3.8 tt -54.73 -40.9 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.484 ' HB ' ' CB ' ' A' ' 56' ' ' ALA . 42.9 mt -75.47 -29.32 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -63.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -125.51 -71.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -154.4 -179.95 30.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.8 ptt? -89.21 -17.66 28.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -47.91 -48.25 62.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.97 -38.88 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.05 -36.62 84.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.623 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.33 -41.07 66.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 3.4 m-20 -78.2 -21.49 49.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -95.12 -52.4 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.71 ' O ' ' CE3' ' A' ' 191' ' ' TRP . 35.2 t -89.05 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.623 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 23.5 t-80 -67.23 22.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 0.0 109.586 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.69 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -104.43 -34.98 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.71 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.48 0.181 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.15 137.35 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.84 80.21 0.33 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.324 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.0 -174.31 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.427 HD13 ' CB ' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -137.37 140.39 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -125.2 136.24 53.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG11 ' CD1' ' A' ' 91' ' ' ILE . 1.9 t -127.8 139.81 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.493 ' CG2' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -131.06 120.19 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -98.92 114.87 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.653 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -102.63 114.71 29.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.17 -154.27 8.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -133.38 119.3 15.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' O ' ' HA ' ' A' ' 18' ' ' ALA . 17.9 Cg_endo -75.08 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.447 ' C ' ' HB2' ' A' ' 18' ' ' ALA . . . 82.54 -154.36 32.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -118.2 -85.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -49.58 -54.84 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -13.49 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' ALA . . . -51.22 -39.37 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 21' ' ' ARG . 22.0 mmt-85 -85.67 -99.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.492 ' C ' ' H ' ' A' ' 22' ' ' HIS . 11.1 p 44.85 13.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 71.98 -10.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 12' ' ' ASN . 25.4 m80 -73.45 16.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.638 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 21' ' ' ARG . 10.9 t-20 -109.94 3.39 20.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' CD2' ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -39.2 -63.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -31.66 -60.31 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 33.4 t80 -75.02 -33.73 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.9 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 24' ' ' LEU . 13.3 t -69.81 -52.36 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -56.67 -45.79 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 18.1 t0 -59.68 -42.4 92.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.77 -62.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.93 -48.99 78.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -60.7 -25.23 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -81.14 -27.83 35.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.06 -41.8 14.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -22.61 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.12 -26.21 18.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.77 144.61 54.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -139.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 51' ' ' ALA . 4.1 m-85 -154.15 149.2 26.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -119.35 179.01 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.36 116.29 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 178.68 -150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.657 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 84.43 157.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -40.11 78.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.486 ' CB ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -68.01 -21.23 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.43 87.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -166.6 179.6 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 2.8 p -176.93 161.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . . . -158.77 144.77 16.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.06 126.56 36.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -159.92 10.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.429 1.08 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 55' ' ' SER . 4.0 mtp180 -156.33 164.98 37.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 1.1 m 154.31 -175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.014 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.513 ' HA ' ' CG2' ' A' ' 177' ' ' ILE . . . 38.17 30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 63.36 52.27 48.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.167 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 172.01 160.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.454 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.1 p -62.92 173.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.66 125.45 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.2 t -108.32 107.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 3.0 tm? -103.6 109.08 20.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.532 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -119.64 170.3 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 177.35 120.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.775 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.1 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 33.2 mmt180 -85.02 -82.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.18 -21.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 59.79 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.533 ' C ' ' O ' ' A' ' 68' ' ' TYR . 52.3 ttm -25.18 -89.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -72.22 -37.83 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.561 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.3 tt0 -58.49 -31.25 67.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.901 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.4 t -79.39 -57.84 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.94 -50.38 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.971 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.59 -46.75 45.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.5 tt0 -43.17 -51.89 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.236 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 55.2 mt -67.67 -46.39 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.971 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.97 -46.24 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.486 HD22 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.53 -40.99 65.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.68 -50.07 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -18.02 61.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.702 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -74.18 -45.08 50.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.34 -15.02 41.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 p 54.96 50.95 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.532 ' CG2' ' OD1' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -97.99 161.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -83.87 155.29 64.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.669 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -5.25 16.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.07 -15.23 58.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.381 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -109.21 -14.28 14.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.43 124.79 41.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.49 ' CD1' HG11 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -138.5 116.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.493 HG23 ' CG2' ' A' ' 8' ' ' VAL . 4.5 t -107.4 132.54 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.538 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -112.77 143.64 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.653 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 12.1 t-160 -149.61 168.73 22.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.555 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -100.32 144.22 29.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' CG ' ' CE1' ' A' ' 115' ' ' HIS . 3.5 t0 -150.91 167.55 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.35 104.95 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -98.25 -81.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 -72.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 138' ' ' GLY . 13.3 tt0 -85.87 163.15 18.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -93.79 43.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -175.88 52.54 0.12 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.515 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.5 mmm-85 -133.95 156.67 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.522 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.6 pp -118.15 161.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.25 105.32 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.471 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.6 129.91 53.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.614 1.196 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -151.54 -179.43 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.2 OUTLIER -134.59 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.495 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.11 -68.91 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -67.42 123.1 19.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 154.04 171.02 20.64 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 64.86 152.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.792 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.34 -63.28 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -94.52 -49.42 2.36 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.475 ' CE1' ' CG ' ' A' ' 96' ' ' ASP . 18.5 m170 -42.92 127.19 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.727 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.39 -47.3 76.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.28 -57.25 20.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.567 1.167 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.401 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 10.8 mt -53.31 -42.69 66.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.43 ' O ' HG11 ' A' ' 122' ' ' VAL . 4.6 ttm180 -59.78 -38.02 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.423 ' O ' ' HB1' ' A' ' 124' ' ' ALA . 5.1 t -71.67 -30.01 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.569 ' O ' ' N ' ' A' ' 125' ' ' LEU . 2.3 t -69.59 -44.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.606 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.89 -37.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.456 ' N ' HG11 ' A' ' 122' ' ' VAL . . . -73.74 -37.31 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.64 -50.44 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.757 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 20.0 mt -77.72 -21.67 51.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.606 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.24 1.39 63.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 122' ' ' VAL . 0.4 OUTLIER 77.42 118.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 56.6 mmtt -141.02 8.53 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.633 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.0 m-20 92.97 20.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.757 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 54.8 m-85 -54.84 150.46 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -84.35 157.31 21.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 9.1 mtt180 -141.84 150.83 42.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.8 t -137.48 84.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.2 mtp180 -87.99 144.15 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.522 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 4.9 mp -98.77 148.42 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.496 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -109.73 96.18 0.93 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.611 1.194 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.542 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -114.08 62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.4 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . -57.95 -160.77 0.03 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 0.0 OUTLIER -175.89 157.13 1.74 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.235 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.545 1.813 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 144' ' ' LYS . . . 144.08 44.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 142' ' ' GLY . 1.3 tpt180 37.8 31.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 142' ' ' GLY . 0.1 OUTLIER -102.64 -60.87 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.46 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.6 OUTLIER 172.0 95.65 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.566 1.824 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.14 -41.88 84.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -61.18 -43.94 98.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.445 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 0.3 OUTLIER -68.34 -25.71 65.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.8 -30.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.47 ' CD2' ' HB ' ' A' ' 20' ' ' THR . 1.2 mt -111.16 34.85 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 mm-40 -68.4 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.623 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.7 t-20 157.48 51.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.637 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -67.17 27.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.623 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.13 -51.87 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.509 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.637 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -47.15 -41.39 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.394 1.059 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.585 ' O ' ' N ' ' A' ' 162' ' ' VAL . 13.9 mt-10 -73.42 -32.26 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.033 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.62 -42.26 87.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.475 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -78.31 -34.45 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.614 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.4 mm-40 -74.71 -36.51 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -55.42 -51.93 75.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.033 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.97 -25.36 12.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.614 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -65.07 -61.63 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.564 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -65.9 -54.5 26.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.5 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 76.8 m -46.01 -44.8 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 108.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -59.48 -45.19 92.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.59 ' HG3' ' N ' ' A' ' 169' ' ' ALA . 1.7 pt20 -66.34 -41.89 88.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.59 ' N ' ' HG3' ' A' ' 168' ' ' GLN . . . -68.62 -37.82 80.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.38 -37.48 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -67.25 -45.02 77.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.547 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -57.78 -41.4 82.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.7 m -65.02 -51.87 59.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.524 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -55.93 -48.62 75.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.524 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -62.53 -38.6 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 4.3 tt -54.51 -46.35 73.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.513 ' CG2' ' HA ' ' A' ' 56' ' ' ALA . 8.8 mt -67.83 -34.18 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -48.13 77.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -144.88 -71.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.67 177.03 34.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 21.1 ptp -86.45 -19.15 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 0.731 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.4 mt-10 -40.96 -50.72 7.6 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.95 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.51 1.795 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.607 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.51 -39.81 94.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.552 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -71.65 -39.91 70.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.092 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.513 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 53.7 t30 -78.78 -22.01 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.81 -53.67 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.621 ' C ' ' H ' ' A' ' 190' ' ' ALA . 40.5 t -87.02 -58.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -70.43 22.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.621 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -89.18 -49.97 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.515 ' HE1' ' NE2' ' A' ' 168' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 tpp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.527 0.204 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.25 -64.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.11 92.36 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.05 130.73 13.48 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -133.87 141.37 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -109.17 145.8 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.493 ' CG1' HG13 ' A' ' 91' ' ' ILE . 15.8 m -131.77 139.26 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -127.84 124.88 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.51 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -91.74 110.18 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.597 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -93.29 99.22 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.61 -147.1 8.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.554 1.159 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.569 ' ND2' ' CG ' ' A' ' 22' ' ' HIS . 3.0 m-20 -136.03 120.37 12.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.01 114.78 4.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.427 1.751 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.12 -154.99 9.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 71.29 134.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 0.776 . . . . 0.0 109.285 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -65.07 -11.95 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.26 -17.69 63.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.04 70.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.472 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -49.95 -30.42 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -78.42 28.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.588 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 63.59 15.58 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.569 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 1.9 t-160 -66.07 8.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.588 ' H ' ' C ' ' A' ' 21' ' ' ARG . 17.4 t-20 -129.76 38.17 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.1 OUTLIER -59.93 -42.91 94.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.34 -55.59 21.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.596 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -78.4 -22.92 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.568 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 7.0 t -74.9 -38.51 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -76.85 -42.35 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . . . -63.79 -44.96 91.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.4 t70 -67.56 -37.65 82.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -54.63 -56.96 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.39 -48.03 80.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -70.87 -41.15 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -80.06 -43.24 22.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.06 -166.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.76 -16.56 70.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.587 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 39.07 101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.69 31.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -82.53 -163.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 111.055 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.07 -166.63 2.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 1.056 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -173.0 144.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ALA . 16.9 t-80 -143.24 177.28 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.554 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -85.87 -165.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' LYS . 14.0 ttt85 36.22 -143.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.587 ' CB ' HD23 ' A' ' 79' ' ' LEU . 40.7 p -70.5 53.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -130.67 -66.86 0.1 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' HIS . . . 47.39 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.496 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.8 mt-10 -73.6 142.96 46.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.493 HG12 ' CB ' ' A' ' 63' ' ' ALA . 33.3 m -153.95 120.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -119.55 110.08 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.75 125.02 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.42 120.41 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 118.45 11.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' GLY . 82.8 p -179.11 -172.45 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.33 31.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 59.35 57.03 21.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' NE ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -174.5 156.08 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.91 168.05 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.5 pp -171.39 111.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 6' ' ' LEU . 7.1 t -103.92 99.61 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 1.4 tm? -89.43 110.05 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -127.52 171.06 11.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.1 OUTLIER 177.99 123.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.618 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.98 -153.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.431 1.753 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 26.5 mmt85 -81.36 -84.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -47.08 -17.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.664 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 68' ' ' TYR . 18.8 ttm -37.89 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.512 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 6.7 t-20 -60.85 -38.84 86.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.559 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 1.6 tp10 -52.64 -45.35 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 68' ' ' TYR . 46.2 t -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.933 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.592 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.83 -51.73 8.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.935 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.95 -54.89 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.59 ' O ' ' CG ' ' A' ' 79' ' ' LEU . 10.3 mm-40 -42.66 -48.66 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.73 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.4 mm -67.25 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.09 -69.49 0.15 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.571 1.17 . . . . 0.0 111.064 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.935 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.59 ' CG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.97 -40.01 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.73 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.12 -50.46 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -15.95 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.3 t80 -75.67 -44.17 43.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.97 2.75 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.3 m 51.77 46.5 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.4 t -118.37 155.43 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.06 158.14 61.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.529 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.09 -22.26 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -8.14 3.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.7 m-20 -106.13 -19.49 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 34.3 mt -86.87 134.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -133.55 120.13 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 2.5 p -102.24 123.47 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.51 HG23 ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -101.77 140.36 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.597 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 7.6 t-160 -145.4 176.67 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.454 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -108.57 142.13 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.733 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -157.0 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 139' ' ' ARG . 2.5 pt? -104.97 116.11 31.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 138' ' ' GLY . 36.4 m-20 -102.13 -80.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.503 ' HA ' ' HA ' ' A' ' 139' ' ' ARG . 24.2 mt -129.13 -79.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 138' ' ' GLY . 37.7 mp0 -90.29 168.56 11.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.503 ' O ' ' CG ' ' A' ' 161' ' ' GLU . 6.2 m-85 -92.39 85.39 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.34 46.8 0.03 OUTLIER Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.521 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 1.6 tmm_? -133.59 154.49 50.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.483 ' O ' ' CD ' ' A' ' 103' ' ' ARG . 1.4 pp -118.84 154.49 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 134' ' ' ARG . 17.5 ttt180 -137.49 104.51 5.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.38 125.67 51.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.073 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -141.95 161.98 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -108.03 -54.66 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.523 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -83.24 -44.84 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 36.38 -127.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.4 89.13 0.1 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.53 -47.83 1.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.01 109.89 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.25 61.81 0.64 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.45 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 172.85 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 0.729 . . . . 0.0 109.601 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 120' ' ' SER . 7.2 m120 -72.88 -41.92 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -66.52 -55.13 19.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.055 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.45 ' HG ' ' CG ' ' A' ' 115' ' ' HIS . 15.7 mt -57.08 -52.59 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.8 m -70.86 -30.78 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.472 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 53.6 t -71.63 -41.98 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 126' ' ' GLY . 11.5 t -73.62 -29.54 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.54 -36.61 63.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.592 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -76.63 -46.68 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 mt -78.87 -22.33 46.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.7 4.5 61.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 87' ' ' PRO . 1.9 t -138.28 161.18 37.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.603 ' HD3' ' C ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -121.55 21.98 10.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.9 -3.31 24.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.607 ' CE2' ' HG3' ' A' ' 132' ' ' ARG . 2.3 p90 -82.0 176.53 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.447 ' CG ' ' HB ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -124.93 165.36 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.607 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -142.5 150.44 40.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 11.5 t -124.29 85.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.2 mtp180 -86.96 144.62 26.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 2.7 mp -98.54 148.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.511 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -112.84 96.65 0.83 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.733 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -107.86 101.7 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . 83.39 171.81 48.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.547 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -50.16 169.71 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.256 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' A' ' 98' ' ' ASP . 18.1 Cg_endo -75.08 160.66 39.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.477 ' CA ' ' HB3' ' A' ' 146' ' ' PRO . 18.2 Cg_endo -74.98 127.57 10.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.568 1.825 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.442 ' N ' ' HB3' ' A' ' 146' ' ' PRO . . . 146.4 67.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -170.9 -153.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 143' ' ' ARG . 1.5 ptmt -28.54 -50.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.462 ' OD2' ' CE ' ' A' ' 144' ' ' LYS . 0.1 OUTLIER -170.7 108.6 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.477 ' HB3' ' CA ' ' A' ' 141' ' ' PRO . 18.0 Cg_endo -75.06 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.36 -38.49 74.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.446 ' HB1' ' CB ' ' A' ' 145' ' ' ASP . . . -67.12 -42.25 84.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.547 ' CD2' HD12 ' A' ' 97' ' ' LEU . 6.7 t80 -75.31 -19.89 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.484 HG23 ' CD2' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -79.52 -37.43 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.249 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.537 ' CD2' ' ND1' ' A' ' 22' ' ' HIS . 2.8 mt -106.73 51.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.4 mt-10 -66.27 -104.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 16.7 t30 150.78 46.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.636 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -72.21 28.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.598 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -20.47 -53.06 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.511 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -71.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.636 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -40.44 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.747 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.8 mt-10 -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.44 -45.5 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.455 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -76.65 -35.65 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 6.2 mm-40 -76.82 -36.1 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.747 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.1 t -52.32 -50.71 78.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -30.47 7.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.519 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 14.6 m -56.54 -51.91 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -81.67 -46.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.518 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 23.6 m -49.01 -48.59 43.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 8.6 pt-20 -68.78 -47.11 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.556 ' OE1' ' CD1' ' A' ' 191' ' ' TRP . 6.1 tt0 -60.19 -48.87 79.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -64.68 -41.52 96.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.37 -38.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.539 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -57.31 -42.11 81.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -66.07 -53.92 32.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.29 -43.3 83.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -67.35 -41.43 85.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 4.8 tt -52.75 -43.49 65.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 49.2 mt -77.39 -27.66 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -67.2 -31.77 72.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -155.56 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -162.43 173.77 38.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.427 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 0.9 OUTLIER -85.49 -24.11 27.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 0.753 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -39.49 -51.57 4.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.98 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.579 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.53 -39.51 93.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.0 tt0 -72.49 -39.56 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.562 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 57.0 t30 -79.06 -20.07 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 183' ' ' PRO . 3.8 ttt180 -97.28 -53.21 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.639 ' C ' ' H ' ' A' ' 190' ' ' ALA . 41.1 t -87.54 -57.58 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.575 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -69.11 23.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.639 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -138.45 60.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.556 ' CD1' ' OE1' ' A' ' 168' ' ' GLN . 23.6 m-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.512 0.196 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . . . -138.04 113.95 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -165.96 68.16 1.13 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.542 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.97 163.44 35.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.396 1.735 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.64 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.82 164.72 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -106.8 144.19 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.474 HG12 ' CG1' ' A' ' 91' ' ' ILE . 15.0 t -125.6 143.55 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -136.86 120.06 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.74 110.22 3.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.601 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.67 115.48 28.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.555 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.33 -144.39 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.01 116.43 11.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.4 Cg_endo -74.97 2.37 6.69 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.09 -120.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 173.06 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -46.64 -43.18 17.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.516 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 5.0 t80 -88.37 -19.14 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.72 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 21' ' ' ARG . 6.2 tpt180 -58.18 -12.94 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.433 HG22 ' C ' ' A' ' 151' ' ' LEU . 48.9 p -77.24 21.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.579 ' C ' ' H ' ' A' ' 23' ' ' ASN . 1.6 mmm180 65.48 7.49 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -68.25 10.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.579 ' H ' ' C ' ' A' ' 21' ' ' ARG . 62.5 t30 -119.44 11.72 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' HG ' ' CB ' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -40.8 -46.13 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -49.18 -58.74 7.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -79.9 -19.88 47.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 0.785 . . . . 0.0 110.963 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.1 t -75.24 -42.35 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.84 -36.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.3 94.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.29 -46.86 69.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.83 -56.42 12.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.07 -49.56 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -60.97 -45.04 96.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.69 -40.01 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -47.54 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -173.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -85.65 41.4 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -29.63 119.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.58 35.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -79.1 -164.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.74 -165.72 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.98 52.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.14 109.95 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.545 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -72.53 -60.71 2.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.235 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -36.81 -45.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.01 -49.89 7.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 43' ' ' HIS . . . 97.5 65.57 0.9 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.57 170.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.48 148.01 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 63' ' ' ALA . 2.3 m -142.29 119.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.514 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -120.91 107.12 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.416 ' CG2' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -100.46 125.42 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.98 -161.93 8.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -149.19 169.82 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.222 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER 157.69 172.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.496 ' HB2' ' CG2' ' A' ' 177' ' ' ILE . . . 46.02 22.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 70.18 49.69 31.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -179.38 152.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.542 ' CB ' ' HB3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -79.0 171.8 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.2 129.57 5.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 6' ' ' LEU . 32.7 t -106.63 102.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.452 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 1.0 OUTLIER -101.03 113.26 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.461 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . . . -127.08 175.06 8.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.25 122.39 0.21 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.697 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 -154.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.5 ' C ' ' N ' ' A' ' 68' ' ' TYR . 7.4 mmt180 -84.74 -87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.437 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -45.85 -21.44 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.878 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 62.49 -81.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.498 ' C ' ' O ' ' A' ' 68' ' ' TYR . 7.8 ttm -29.18 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -64.57 -35.88 82.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.4 mt-10 -59.69 -30.23 68.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.878 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.4 t -77.26 -57.64 3.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.66 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -43.78 -50.72 7.15 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.507 1.129 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.27 -48.57 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.385 0.697 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 3.8 tp60 -41.55 -50.83 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.739 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.7 mt -68.26 -44.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.0 -67.5 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.91 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.446 1.761 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -53.3 -40.74 64.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.739 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -48.95 65.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -17.43 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.746 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -73.36 -45.79 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.543 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 27.8 m-85 -89.0 -15.85 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.4 p 55.27 53.07 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.058 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.543 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 2.7 t -101.42 176.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -80.62 124.76 81.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.444 ' O ' ' CG2' ' A' ' 90' ' ' ILE . 18.5 Cg_endo -74.97 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.41 1.12 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.64 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 2.0 m-20 -116.23 1.88 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -93.27 128.16 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.52 HG21 ' CD1' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -126.14 114.98 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.0 p -103.42 124.96 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.511 HG21 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -108.37 148.38 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.601 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 9.5 t-160 -157.11 169.23 25.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.523 ' OD2' ' CB ' ' A' ' 21' ' ' ARG . 11.5 t0 -100.68 143.56 30.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.6 t0 -157.74 154.32 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.49 ' H ' ' CD2' ' A' ' 97' ' ' LEU . 1.1 pt? -86.61 96.77 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 139' ' ' ARG . 64.6 t0 -89.9 -70.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.441 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -132.68 -94.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.5 171.57 9.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 149' ' ' PHE . 1.6 m-85 -92.52 105.26 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.436 ' O ' HD12 ' A' ' 165' ' ' ILE . . . 126.77 39.97 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.521 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 2.0 mmm-85 -133.04 156.82 46.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.483 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.8 pp -120.33 161.54 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.0 ttm180 -149.77 105.64 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.494 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.75 131.71 51.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.43 179.09 8.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.555 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.4 tp -120.89 -89.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.555 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -65.17 -50.29 57.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.05 76.52 0.73 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -138.53 -160.72 8.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 49.38 77.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.05 54.63 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.24 60.26 2.42 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.437 ' NE2' ' OD2' ' A' ' 96' ' ' ASP . 2.0 m-70 -130.45 118.55 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 109.586 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -58.39 -37.33 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.5 -64.89 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 121' ' ' VAL . 6.2 mt -53.69 -50.11 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.1 ttt180 -58.71 -31.1 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.2 m -75.19 -28.17 59.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.66 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -70.87 -43.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.388 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.489 ' N ' HG12 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -67.6 -46.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -68.51 -38.69 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -64.63 -43.39 93.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.495 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -80.33 -23.59 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 65.16 7.88 33.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.97 -153.38 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.66 35.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -135.7 97.76 3.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -175.72 -179.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.505 ' CB ' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -127.55 164.45 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.518 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -144.42 150.66 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 17.5 t -121.76 89.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mtp85 -88.28 143.29 27.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 4.9 mp -102.94 147.57 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -99.71 104.66 2.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.61 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.3 pp -115.14 89.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 67.63 -179.02 17.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -164.25 161.15 16.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.747 . . . . 0.0 110.287 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 117.74 5.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.557 1.82 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -90.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.425 1.75 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -154.53 97.07 0.17 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 39.04 56.4 2.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.82 -77.73 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.97 77.98 0.19 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.3 Cg_endo -74.96 -63.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 110.951 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.68 69.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.54 92.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 101' ' ' PHE . 1.6 t80 -77.31 -27.25 52.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 146' ' ' PRO . 0.5 OUTLIER -68.98 -30.45 46.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -81.96 9.43 8.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.641 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 tp10 -106.59 -119.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.641 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 5.5 t30 144.42 145.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.664 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.5 OUTLIER -78.49 39.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -12.01 -56.28 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.664 ' N ' ' O ' ' A' ' 154' ' ' PHE . 17.9 Cg_endo -75.08 -82.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.609 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -43.94 -26.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.76 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.0 tt0 -77.71 -40.95 39.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.015 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.35 -42.07 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.06 -35.56 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.668 ' O ' ' N ' ' A' ' 165' ' ' ILE . 3.0 tt0 -79.06 -35.0 43.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.76 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -52.16 -54.06 45.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.015 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.0 Cg_endo -75.03 -34.93 3.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.801 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.458 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 17.7 m -71.9 -40.34 68.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.668 ' N ' ' O ' ' A' ' 161' ' ' GLU . 4.3 tp -76.06 -57.83 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.561 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 69.6 m -45.97 -48.48 16.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.18 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 4.1 tt0 -61.16 -47.79 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 188' ' ' VAL . 3.0 mm100 -62.2 -48.57 79.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.48 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.32 74.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.586 ' CB ' HG22 ' A' ' 188' ' ' VAL . . . -59.72 -39.28 84.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.8 m -62.39 -51.81 66.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -55.92 -48.03 76.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.1 OUTLIER -64.61 -34.73 78.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.559 ' CD1' ' CB ' ' A' ' 181' ' ' MET . 7.1 tp -54.65 -54.52 40.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.496 ' CG2' ' HB2' ' A' ' 56' ' ' ALA . 7.6 mm -72.47 -22.93 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.232 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.16 -72.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -114.4 -73.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.54 -159.57 9.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.559 ' CB ' ' CD1' ' A' ' 176' ' ' LEU . 1.0 OUTLIER -105.59 -20.37 13.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.933 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.564 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -47.81 -48.14 61.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.07 -38.57 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.69 -40.33 92.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.563 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -69.9 -39.57 76.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.9 t-20 -79.9 -22.23 43.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.9 ttt180 -93.37 -53.81 3.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.621 ' N ' ' O ' ' A' ' 184' ' ' ALA . 79.2 t -88.47 -57.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.563 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 41.2 t-80 -70.83 14.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.561 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -68.1 -32.92 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 191' ' ' TRP . 5.1 p-90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 107.975 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.515 0.197 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.73 88.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 177.49 95.18 0.13 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 110.27 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.22 42.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -129.61 137.98 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -107.34 145.83 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.387 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' A' ' 91' ' ' ILE . 10.0 m -135.66 140.62 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG23 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -130.88 125.18 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.496 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -90.71 107.92 3.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -88.05 94.95 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.4 -151.11 9.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -134.49 126.55 18.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 -0.19 9.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.74 -150.37 0.21 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.563 1.164 . . . . 0.0 111.055 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.96 -78.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 0.796 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -48.92 -35.78 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 -19.29 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.55 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -46.5 -24.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 p -77.11 30.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.6 ' C ' ' H ' ' A' ' 23' ' ' ASN . 2.2 mtt180 63.55 10.46 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CE1' HD23 ' A' ' 151' ' ' LEU . 0.9 OUTLIER -64.54 7.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.6 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.3 t-20 -122.92 19.6 10.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -37.58 -47.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.518 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.09 -58.31 10.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -77.23 -20.83 54.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -75.0 -42.06 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.432 HG23 ' CD1' ' A' ' 24' ' ' LEU . 4.0 t -73.39 -48.54 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.37 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.494 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . . . -56.21 -45.42 79.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -61.08 -48.95 79.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -49.87 -59.88 3.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.1 mt -51.75 -50.13 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -61.08 -44.72 96.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -49.49 -40.13 36.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -52.89 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -174.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -86.31 41.06 3.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -28.74 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.41 75.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.754 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -141.0 -156.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.21 -164.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.79 125.46 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -59.62 110.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -68.77 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -40.16 -39.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.57 -50.69 8.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.47 54.49 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 43' ' ' HIS . . . -167.96 165.82 13.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.7 mt-10 -80.1 144.66 32.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.8 m -141.41 113.68 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.754 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -116.02 111.47 20.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.33 125.94 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.47 125.65 4.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -140.91 96.15 2.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -166.76 -160.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.947 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' O ' ' CG2' ' A' ' 177' ' ' ILE . . . 43.14 27.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . 63.18 43.87 97.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.168 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 178.41 151.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.313 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.79 179.35 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -178.02 112.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.433 ' O ' HG21 ' A' ' 7' ' ' VAL . 55.8 t -101.99 103.68 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 29' ' ' ALA . 1.3 tm? -97.42 110.35 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . -128.7 171.38 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -179.16 123.47 0.24 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.652 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.09 -156.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.498 ' C ' ' N ' ' A' ' 68' ' ' TYR . 25.0 mmt180 -82.21 -84.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.02 -17.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.7 m-85 60.95 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.47 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 31.1 ttm -38.42 -96.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -59.87 -34.55 73.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.583 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -56.87 -45.17 82.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.7 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -65.02 -55.27 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.649 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -41.2 -53.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.19 -46.87 21.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 0.811 . . . . 0.0 110.296 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.583 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.9 mm-40 -49.24 -47.5 46.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.37 -48.45 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.386 1.054 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.01 -65.81 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.04 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.93 -50.76 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -16.13 61.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -75.3 -44.76 43.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -81.36 4.01 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.6 t 50.62 45.03 27.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.507 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 22.2 t -120.92 151.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.55 155.67 68.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.6 Cg_endo -75.0 -9.91 20.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.39 55.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.682 ' O ' ' N ' ' A' ' 6' ' ' LEU . 2.2 p30 -107.09 -19.47 13.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.418 ' C ' HG21 ' A' ' 91' ' ' ILE . 14.6 mt -87.04 130.89 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.485 ' CD1' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -133.19 142.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.482 ' CG2' HG23 ' A' ' 8' ' ' VAL . 46.2 t -119.59 123.72 71.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.518 ' CD1' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -104.34 141.74 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 9.0 t-160 -148.95 -179.92 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.474 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -109.28 144.17 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 135' ' ' ILE . 5.8 t0 -149.59 170.97 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' CG2' ' A' ' 150' ' ' VAL . 0.8 OUTLIER -103.23 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.48 -85.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 139' ' ' ARG . 3.7 mt -137.42 -62.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.6 mt-10 -89.53 164.55 14.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -92.38 14.27 17.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.491 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -151.43 59.88 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.592 ' NE ' ' CD2' ' A' ' 191' ' ' TRP . 76.5 mmt-85 -136.12 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.564 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.1 pp -122.19 161.53 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 134' ' ' ARG . 7.5 ttt180 -147.85 108.19 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.53 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.9 140.94 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -155.96 173.02 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.491 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.7 OUTLIER -102.97 -104.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.491 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.28 -41.47 39.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 45.05 -92.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 109' ' ' GLY . . . 131.21 42.16 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.9 mp0 39.45 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -36.8 -61.99 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . 173.87 78.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.468 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 58.3 m80 -157.16 135.92 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 120' ' ' SER . 0.5 OUTLIER -62.29 -24.22 67.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -66.31 -64.75 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.602 ' O ' HG12 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -54.54 -49.79 69.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -33.93 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 7.8 t -69.84 -29.54 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.649 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.64 -41.83 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.562 ' N ' HG12 ' A' ' 121' ' ' VAL . 26.0 t -65.18 -39.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.01 -40.34 71.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.555 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -72.19 -39.54 68.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.624 HD23 ' CB ' ' A' ' 80' ' ' ALA . 5.8 mt -79.89 -22.19 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.01 6.48 73.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 71.86 133.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 110.347 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.1 tmtt? 176.21 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.6 m-20 82.1 102.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -135.77 160.29 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 83.3 mt-30 -111.74 154.1 25.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.424 ' NH2' ' CG1' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -142.01 148.8 39.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.9 t -140.86 85.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -91.3 145.33 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.564 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.9 mp -97.28 149.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.551 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -106.82 98.39 1.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.484 HD11 ' N ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -115.83 65.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . -76.23 -108.77 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.733 ' N ' ' HD3' ' A' ' 140' ' ' PRO . 0.0 OUTLIER 64.13 46.06 0.61 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.737 . . . . 0.0 110.328 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.733 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.2 Cg_endo -74.91 148.08 35.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.536 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.1 Cg_endo -75.04 -35.63 3.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -177.11 -84.94 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -159.29 20.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.472 ' HG3' ' H ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -71.03 -55.31 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.481 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 5.3 m-20 -167.82 98.98 0.59 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.7 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.74 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -55.45 -39.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.582 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -73.9 -34.8 64.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.442 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -61.14 -36.05 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.247 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.547 HD23 ' CE1' ' A' ' 22' ' ' HIS . 39.3 mt -101.25 36.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.582 ' HG3' ' CD1' ' A' ' 149' ' ' PHE . 0.8 OUTLIER -68.32 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.167 . . . . 0.0 110.299 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.604 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.9 t30 159.41 48.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.631 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -68.45 28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.604 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.95 -51.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.455 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.513 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -74.98 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.631 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -45.76 -42.16 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.238 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.1 mt-10 -74.5 -30.03 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.971 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.21 -46.16 83.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.472 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.75 -33.97 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.592 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 3.4 tp10 -75.96 -37.39 58.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.3 -49.49 87.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.971 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.01 -28.72 8.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.507 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 22.2 m -64.77 -58.99 4.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.592 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.41 -54.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 68.5 m -46.09 -47.57 17.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 108.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -57.18 -46.23 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.428 ' O ' HG22 ' A' ' 188' ' ' VAL . 7.2 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.1 -39.45 82.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.8 73.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -67.33 -44.73 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.531 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -59.14 -43.43 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.3 m -64.61 -51.15 64.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.406 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -57.44 -46.94 83.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.508 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.5 -35.93 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.4 tt -54.98 -50.6 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' A' ' 56' ' ' ALA . 47.1 mt -74.86 -24.02 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.79 -32.19 73.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.248 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -158.77 -71.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.426 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.87 176.6 35.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 4.3 ptp -89.62 -17.11 29.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 0.803 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.553 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -47.22 -48.23 55.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -75.04 -40.09 0.99 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.633 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.29 -37.06 85.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.2 tt0 -73.21 -40.35 64.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.466 ' C ' ' HB3' ' A' ' 190' ' ' ALA . 25.4 m-20 -78.93 -19.09 52.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 3.4 ttt180 -98.72 -52.44 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.633 ' N ' ' O ' ' A' ' 184' ' ' ALA . 38.3 t -88.65 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.7 t-80 -54.11 -11.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.466 ' N ' ' C ' ' A' ' 188' ' ' VAL . . . -116.04 70.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.592 ' CD2' ' NE ' ' A' ' 103' ' ' ARG . 31.9 m-90 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 107.95 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.546 0.213 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.57 159.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 172.44 -56.11 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo -75.03 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.84 136.41 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 90' ' ' ILE . 0.3 OUTLIER -114.49 143.7 44.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 5.7 m -134.01 143.02 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG22 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.09 125.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 112.3 4.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.627 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -96.26 113.42 25.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.408 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.33 -156.8 10.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.65 116.11 11.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.02 -91.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 31.85 -148.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -123.78 -90.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.39 -44.95 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.575 ' CE2' HD22 ' A' ' 151' ' ' LEU . 1.3 t80 -73.16 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 13' ' ' PRO . . . -49.12 -38.34 24.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.615 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.9 mpt_? -83.46 -97.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.545 ' C ' ' H ' ' A' ' 22' ' ' HIS . 70.7 p 40.19 18.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.6 mmp_? 65.1 -5.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.545 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.7 m80 -74.61 16.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.501 ' H ' ' C ' ' A' ' 21' ' ' ARG . 26.5 t-20 -115.3 2.38 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -38.44 -42.94 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -51.91 -58.03 11.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.615 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 8.6 t80 -80.48 -19.86 45.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.3 t -74.15 -41.39 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.438 ' CG2' ' SG ' ' A' ' 166' ' ' CYS . 40.4 t -78.14 -48.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.31 -35.42 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 13.9 t70 -70.64 -50.89 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -53.73 -52.39 60.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -59.26 -54.03 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.43 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -75.88 -34.03 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -43.57 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -36.27 79.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.228 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.15 -2.1 83.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -24.56 135.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -104.81 31.29 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.769 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -57.62 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -174.03 -164.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -137.4 103.68 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -175.12 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 54.38 170.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.55 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.444 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 24.1 p -69.22 -42.03 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.007 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.18 77.6 1.33 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 179.88 -178.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.601 0.824 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.617 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.5 tt0 -87.75 150.86 23.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 14.9 p -171.81 158.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.769 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -143.72 125.59 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 125.73 41.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.41 131.19 4.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 5.7 mtp180 -117.54 107.33 14.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 0.737 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.543 ' O ' ' O ' ' A' ' 58' ' ' ARG . 73.8 m -169.35 -172.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 64.92 10.21 6.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.9 26.42 31.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.9 mmt-85 -178.47 161.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -76.58 167.82 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.64 112.84 3.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.416 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 29.8 t -108.12 105.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.3 tm? -99.93 112.73 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' N ' HD23 ' A' ' 62' ' ' LEU . . . -115.5 165.29 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' CD ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -175.05 111.02 0.27 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.661 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.02 -157.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 68' ' ' TYR . 78.0 mmt-85 -87.71 -78.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -51.36 -17.87 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.358 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.738 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.5 m-85 59.63 -77.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 67' ' ' CYS . 31.8 ttm -33.37 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -69.7 -31.66 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.76 -34.21 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.738 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.4 t -80.45 -50.99 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -48.26 -48.98 26.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.975 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.54 -43.94 37.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 0.819 . . . . 0.0 110.276 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.563 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 4.1 tm0? -48.08 -50.41 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.792 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.55 -46.41 80.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.47 -68.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.975 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.43 -40.7 68.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.792 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.34 -49.46 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -16.94 60.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -73.48 -46.12 49.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.526 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 20.7 m-85 -84.77 -16.16 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.1 p 55.36 52.76 10.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.526 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 4.9 t -96.12 172.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.93 157.64 63.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.631 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.64 6.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.99 -0.31 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.479 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 90.5 m-20 -105.61 -29.59 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.512 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 7.4 mt -91.13 133.04 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.539 ' CD1' HG23 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -135.59 139.84 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.453 ' CG2' HG22 ' A' ' 8' ' ' VAL . 61.9 t -120.28 124.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 1.2 pt -104.92 143.36 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.627 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 9.3 t-160 -153.33 -178.01 6.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.499 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -105.64 142.16 35.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.511 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 1.7 t70 -149.77 160.81 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.418 ' CD1' HG23 ' A' ' 150' ' ' VAL . 1.8 mp -97.9 102.68 14.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -94.84 -75.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.2 OUTLIER -134.53 -97.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.201 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.44 179.61 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.29 86.15 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.594 ' CD ' ' CH2' ' A' ' 191' ' ' TRP . 15.7 tpp180 -132.88 158.86 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.503 HG13 ' CH2' ' A' ' 191' ' ' TRP . 0.3 OUTLIER -123.65 161.47 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.4 1.062 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.8 102.05 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.47 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.53 131.43 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -149.92 174.05 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.533 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -94.5 -55.66 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.533 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.12 -45.11 0.83 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.21 -114.44 3.73 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.39 93.91 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 112' ' ' GLU . 1.8 tm-20 -78.83 72.64 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 0.834 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.84 -89.78 1.96 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -69.02 64.88 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 5.4 m80 -160.51 106.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -62.81 -38.96 92.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.3 -61.69 6.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.5 mt -51.39 -42.86 61.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 0.722 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -62.66 -36.24 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.163 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.43 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.458 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.8 t -69.14 -44.23 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 126' ' ' GLY . 15.1 t -72.52 -26.32 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.79 65.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -87.06 -43.98 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' ' 130' ' ' PHE . 20.8 mt -78.47 -22.82 46.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.15 5.46 62.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 81.94 120.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.506 ' O ' ' CG ' ' A' ' 87' ' ' PRO . 36.1 mmtt -141.0 14.4 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 7.9 t0 80.52 17.17 0.62 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.631 ' CD1' ' HA ' ' A' ' 87' ' ' PRO . 38.3 m-85 -49.44 171.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.476 ' HG3' ' CD1' ' A' ' 108' ' ' ILE . 24.0 mt-30 -104.47 156.63 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.42 149.61 42.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.1 t -134.29 86.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -91.41 143.48 26.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.512 HG23 ' N ' ' A' ' 136' ' ' GLY . 2.7 mp -98.92 150.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.512 ' N ' HG23 ' A' ' 135' ' ' ILE . . . -102.51 96.35 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.587 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.64 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 59.5 169.67 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.6 OUTLIER -152.28 157.45 33.87 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.349 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 147.34 33.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.51 1.795 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -24.82 12.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.456 1.766 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 156.25 74.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.568 1.168 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 59.81 50.48 6.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -102.34 -77.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -165.53 88.67 0.94 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -55.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.556 1.819 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.66 -40.83 80.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.17 98.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 4.2 t80 -74.96 -19.09 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -81.89 -29.14 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.575 HD22 ' CE2' ' A' ' 17' ' ' TYR . 3.4 mp -89.83 38.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.645 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.8 mm-40 -67.27 -104.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.1 t30 142.85 45.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.663 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -73.26 29.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.63 -53.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.529 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.08 -72.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.663 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.33 9.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 162' ' ' VAL . 17.9 mt-10 -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.003 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.6 OUTLIER -58.67 -43.4 89.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.497 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -78.8 -34.32 45.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.561 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.8 mm-40 -75.23 -36.85 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.637 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.4 t -54.68 -51.47 78.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.003 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -25.5 11.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.561 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -60.74 -57.03 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.537 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -75.13 -55.15 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.493 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 62.6 m -40.69 -43.97 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.9 tt0 -69.49 -44.83 70.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 165' ' ' ILE . 2.8 mm-40 -64.27 -50.11 69.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.472 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -64.75 -36.16 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -60.95 -40.44 93.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.94 -43.17 83.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.575 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.43 -42.14 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.2 m -62.78 -52.45 63.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.1 pt-20 -58.14 -47.2 84.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.501 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -65.46 -41.55 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.4 tt -50.22 -50.7 48.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 23.8 mt -75.68 -23.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -65.24 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -160.7 -71.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -155.19 173.37 33.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.4 ptt? -90.01 -17.48 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -48.87 -47.44 73.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.01 -38.79 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.654 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.64 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.397 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.603 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -71.17 -40.67 71.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.549 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 56.1 t30 -78.37 -20.95 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.482 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.64 -52.58 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.359 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.671 ' O ' ' CE3' ' A' ' 191' ' ' TRP . 36.4 t -87.77 -57.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -68.37 22.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.64 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -105.22 -35.29 7.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.671 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.521 0.201 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.8 128.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -154.28 85.27 3.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.615 1.197 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -74.99 158.88 41.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.435 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -124.56 137.37 54.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.612 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -106.74 146.81 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.509 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 40.4 t -129.85 146.23 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' CG2' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.2 121.17 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.67 113.77 4.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.581 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -89.13 90.35 8.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.461 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -109.1 -150.75 14.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 22' ' ' HIS . 52.2 t30 -139.62 126.43 12.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.727 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -9.93 20.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.96 -141.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -164.49 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 0.727 . . . . 0.0 109.312 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.472 ' CG ' ' N ' ' A' ' 17' ' ' TYR . 6.2 p30 -43.49 -46.29 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.576 ' CE2' ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -88.8 -19.77 25.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.937 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.69 -28.24 62.57 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.3 tpt180 -58.45 -58.18 9.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.686 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 71.5 p -30.82 -37.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.686 ' CB ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 141.43 6.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.37 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -61.54 3.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.659 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.589 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.7 t-20 -122.38 40.4 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 HD12 ' CD1' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -65.33 -56.37 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.93 -43.27 30.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -79.43 -30.68 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 3.4 t -71.46 -40.39 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 93' ' ' ILE . 2.4 t -71.79 -49.48 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.415 ' HB1' ' CZ ' ' A' ' 40' ' ' PHE . . . -54.49 -48.68 71.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.04 -44.44 94.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.538 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -54.31 -62.44 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.4 mt -54.93 -28.63 52.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.05 -54.49 8.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.03 -28.73 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -49.82 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -81.8 10.61 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.85 -52.16 0.52 Allowed Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -39.25 138.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 -141.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.573 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 2.5 m-85 -147.97 148.22 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -121.8 -164.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.403 ' H ' ' CG ' ' A' ' 41' ' ' LYS . . . -128.63 121.24 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 143.7 28.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -79.21 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 66.68 -63.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.9 m -115.62 -12.07 11.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.94 90.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.6 1.188 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -166.73 168.92 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.725 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.0 mm-40 -87.83 150.75 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.623 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 3.0 p -174.43 163.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB3' ' CD1' ' A' ' 40' ' ' PHE . . . -167.12 145.6 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 127.31 33.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -118.83 112.0 2.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.96 116.01 30.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 0.729 . . . . 0.0 110.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 174.21 -159.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.936 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' O ' ' CG2' ' A' ' 177' ' ' ILE . . . 41.72 28.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.29 48.51 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 168.33 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.44 165.48 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -162.09 123.21 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.41 ' CG1' ' CD1' ' A' ' 6' ' ' LEU . 53.5 t -104.78 106.65 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.623 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -94.08 113.4 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -127.89 168.12 15.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.573 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 172.36 120.75 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.749 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -154.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.727 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 8.7 mpt_? -80.8 -84.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.516 ' N ' ' HG3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -47.07 -21.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.761 ' O ' ' N ' ' A' ' 72' ' ' SER . 35.7 m-85 61.04 -80.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.515 ' O ' ' O ' ' A' ' 68' ' ' TYR . 2.1 ttm -32.27 -97.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.679 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 21.1 m-20 -62.7 -38.62 91.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.57 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -53.0 -45.69 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.761 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.2 t -65.25 -46.8 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.49 -52.86 7.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.928 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.17 -51.52 10.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 28.8 mm-40 -44.49 -49.42 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.739 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.67 -48.52 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.13 -67.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.928 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.86 -45.65 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -54.47 -40.77 68.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.739 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.54 -50.08 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -16.73 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -74.51 -44.77 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -80.2 2.15 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.0 t 52.63 45.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.2 t -112.8 147.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.74 165.14 43.51 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.501 ' HG3' ' CB ' ' A' ' 128' ' ' LYS . 18.3 Cg_endo -75.05 -21.75 15.43 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.558 1.82 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -11.1 38.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 6' ' ' LEU . 65.4 m-20 -110.6 -11.93 14.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 81.8 mt -93.02 135.55 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -133.81 117.44 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.537 ' CG1' ' HG ' ' A' ' 10' ' ' LEU . 57.5 t -103.26 122.71 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.68 145.87 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -154.14 179.51 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.6 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CG ' ' CD ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -108.02 143.04 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -152.21 152.12 31.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.489 ' CA ' ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -89.7 111.95 23.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 138' ' ' GLY . 3.4 t70 -117.7 -68.46 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 10.6 mp -124.07 -106.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -89.61 172.08 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -86.8 64.0 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 175.02 46.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.644 ' NH2' ' CE1' ' A' ' 189' ' ' HIS . 3.2 mmm-85 -138.83 165.2 27.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.1 pp -125.47 157.58 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.612 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -150.1 94.91 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -105.45 144.4 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.496 ' CG ' ' O ' ' A' ' 106' ' ' LEU . 9.2 mtpt -156.99 -178.5 7.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.537 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -127.26 -80.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.537 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -46.14 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.17 133.22 52.77 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 179.26 -97.34 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' GLY . 7.8 tt0 -37.39 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.374 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.28 -64.94 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -145.92 66.05 0.43 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -135.1 129.68 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -64.42 -41.29 96.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.17 -66.43 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.44 -43.89 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.476 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.9 ttt-85 -60.65 -34.86 74.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 6.1 t -73.77 -32.36 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.052 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.515 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 3.7 t -74.01 -41.14 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.592 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -65.5 -41.22 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.436 ' N ' HG12 ' A' ' 122' ' ' VAL . . . -70.39 -37.91 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -72.23 -48.04 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.452 HD13 ' CG1' ' A' ' 121' ' ' VAL . 14.2 mt -78.73 -20.42 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 80.25 2.48 89.17 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.556 ' OG1' ' CG2' ' A' ' 122' ' ' VAL . 0.5 OUTLIER 69.84 117.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 0.824 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 12.8 mmtt -148.93 17.05 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 5.7 m-20 82.23 95.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 4.4 p90 -125.3 171.96 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -102.33 156.63 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' HD3' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -141.01 151.45 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 9.5 t -137.64 86.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.612 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -89.79 145.37 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.5 mp -100.52 149.0 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.495 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -95.13 95.01 1.81 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.4 pp -105.8 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.489 ' O ' ' CA ' ' A' ' 97' ' ' LEU . . . 61.37 173.46 1.26 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -132.81 159.68 71.57 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 126.57 10.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -79.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.597 1.84 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.06 -143.66 4.55 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -98.24 60.95 1.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.44 -69.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.467 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.9 OUTLIER -171.85 97.19 0.39 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -63.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.542 1.811 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.0 86.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -61.11 -41.81 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.3 t80 -74.58 -22.73 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.449 HG11 ' CD2' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -80.4 -27.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 17' ' ' TYR . 3.4 mm? -90.94 39.07 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.0 mm-40 -60.63 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.2 t-20 152.13 47.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.697 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.6 OUTLIER -69.25 32.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.651 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -11.87 -54.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.697 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.0 -81.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' A' ' 154' ' ' PHE . . . -43.03 -27.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.478 ' N ' ' HB3' ' A' ' 154' ' ' PHE . 1.0 OUTLIER -79.43 -43.37 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.011 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -75.18 -30.77 60.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.518 ' N ' ' HG3' ' A' ' 159' ' ' ARG . . . -75.3 -40.7 58.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.641 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 4.7 mm-40 -78.46 -35.85 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -48.66 -52.78 42.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 109.376 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.011 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -35.2 3.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.614 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -53.95 -53.32 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 110.487 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.641 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -76.76 -50.35 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 17.2 m -44.29 -50.37 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -64.81 -46.09 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.488 ' N ' ' CG ' ' A' ' 167' ' ' GLU . 2.1 mp0 -60.43 -42.99 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.6 -42.64 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.58 -39.8 68.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.49 -45.03 73.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.222 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.569 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -56.73 -43.95 81.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.629 1.206 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -64.9 -53.53 44.99 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.4 pt-20 -59.15 -47.34 85.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.5 OUTLIER -62.74 -39.13 93.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 4.6 tt -55.22 -46.99 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.409 ' CG2' ' O ' ' A' ' 56' ' ' ALA . 4.0 mt -68.48 -29.91 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.44 -41.36 98.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.5 -72.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.48 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.21 173.45 35.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.462 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 2.4 ptp -87.46 -16.82 33.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -44.43 -50.03 23.66 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.527 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.9 -38.42 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.13 -39.53 94.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' C ' ' A' ' 189' ' ' HIS . 1.6 tt0 -70.38 -40.02 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 4.4 m-20 -79.61 -23.13 42.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -91.43 -54.36 3.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.222 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.615 ' O ' ' CZ3' ' A' ' 191' ' ' TRP . 80.8 t -88.28 -56.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.644 ' CE1' ' NH2' ' A' ' 103' ' ' ARG . 23.9 t-80 -73.07 20.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.52 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.552 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -69.16 -41.14 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.615 ' CZ3' ' O ' ' A' ' 188' ' ' VAL . 44.1 p90 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 107.961 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.438 0.161 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.45 104.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.51 74.89 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -177.77 3.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -132.63 137.91 47.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.3 137.95 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.9 t -127.67 145.26 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.75 119.4 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -88.45 105.81 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -92.73 95.43 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' O ' ' CB ' ' A' ' 68' ' ' TYR . . . -118.77 -151.01 8.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' A' ' 22' ' ' HIS . 17.9 t-20 -138.23 128.98 15.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.613 0.831 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -74.97 2.14 6.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.822 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -55.61 -159.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.405 1.065 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.8 -76.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -53.8 -37.35 63.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -18.79 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -29.06 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' C ' ' N ' ' A' ' 21' ' ' ARG . 21.7 mmt180 -53.98 -54.75 34.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.722 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 42.1 p -49.47 -14.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.357 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.722 ' CB ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 106.98 19.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.564 ' O ' ' N ' ' A' ' 12' ' ' ASN . 14.7 t-160 -63.96 5.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.5 t-20 -125.78 43.19 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.499 ' CD1' ' NE ' ' A' ' 21' ' ' ARG . 1.3 tp -62.49 -66.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.505 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -36.42 -48.07 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.2 -35.51 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.797 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 3.2 t -65.84 -41.28 89.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.64 -50.44 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.542 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -53.16 -48.55 67.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 t0 -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.02 -61.07 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.0 mt -50.94 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.69 97.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.375 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -53.86 -37.63 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -44.3 14.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.1 -168.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.85 -17.8 66.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.54 105.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.49 74.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.734 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -144.48 -155.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -165.85 -161.85 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.22 126.14 47.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -63.4 110.4 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -48.15 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.11 -65.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.547 ' CB ' ' CD1' ' A' ' 79' ' ' LEU . 4.2 p -70.14 -44.57 68.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.31 67.05 0.92 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.565 1.165 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' HB2' ' CA ' ' A' ' 65' ' ' PRO . . . -173.0 164.37 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.6 mt-10 -77.68 148.28 35.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.305 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.4 m -146.09 112.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.734 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -114.65 109.52 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.97 127.62 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.85 127.93 5.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.96 107.06 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -175.2 -162.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.85 26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.24 51.41 56.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HG3' ' CG2' ' A' ' 177' ' ' ILE . 0.1 OUTLIER 171.64 153.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 0.803 . . . . 0.0 110.353 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.64 174.8 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.046 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.493 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 2.1 pp -173.92 107.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.493 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 40.9 t -98.97 109.56 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.542 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 1.5 tm? -99.63 113.97 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -126.93 163.19 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' CD ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -178.45 121.88 0.25 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.682 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -157.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.1 mmt180 -80.44 -85.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.66 -22.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 108.317 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.722 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.3 m-85 63.92 -80.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.469 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 19.7 ttm -38.41 -96.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.548 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 31.9 t-20 -58.54 -37.55 75.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -54.79 -50.68 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.722 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -64.68 -32.19 73.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.937 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -58.89 -50.67 65.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 1.119 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -85.19 -35.18 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 0.805 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 19.6 mm100 -63.08 -46.26 88.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.7 mt -73.75 -49.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -31.79 -61.06 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 1.119 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -48.22 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.428 1.752 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.09 -41.46 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.609 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.97 -49.63 64.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -16.78 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -74.64 -43.89 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.47 -4.03 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t 49.01 46.02 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.431 ' CG2' HD22 ' A' ' 89' ' ' ASN . 0.4 OUTLIER -101.44 162.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -81.93 148.8 61.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.626 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.98 -9.01 20.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.54 -6.91 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.657 ' O ' ' N ' ' A' ' 6' ' ' LEU . 27.0 p30 -112.12 -18.07 12.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.58 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -86.13 129.46 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -139.6 120.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.8 p -104.79 131.66 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.55 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -111.51 144.19 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.572 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 9.9 t-160 -156.92 171.7 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.623 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.507 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p30 -95.31 139.95 30.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.499 ' O ' ' N ' ' A' ' 137' ' ' ILE . 6.4 t0 -146.03 160.8 41.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.482 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 0.4 OUTLIER -94.9 114.3 26.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.34 -76.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 138' ' ' GLY . 8.3 mp -130.06 -98.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.436 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -90.31 174.58 7.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.61 ' CE1' ' CG1' ' A' ' 137' ' ' ILE . 1.4 m-85 -94.22 90.05 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 165' ' ' ILE . . . 150.2 41.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.546 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.8 mmm-85 -136.5 154.93 50.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.8 pp -116.81 160.42 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.4 tpm_? -149.08 104.96 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.514 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.0 139.54 38.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -152.68 171.33 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.563 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -95.64 -55.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -108.72 -57.78 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.35 -109.06 1.35 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.5 134.86 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -96.24 33.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.18 108.1 2.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.62 1.3 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.484 ' CD2' ' OD1' ' A' ' 96' ' ' ASP . 1.5 m80 -64.79 100.88 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 0.81 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.0 m-20 -58.61 -47.78 83.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.71 -55.15 24.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.475 HD21 ' CD2' ' A' ' 10' ' ' LEU . 11.2 mt -58.49 -49.44 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.88 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 116' ' ' ASN . 7.4 t -69.7 -39.18 77.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.401 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 3.6 t -65.51 -43.52 94.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.532 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 75.8 t -73.31 -24.32 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.2 64.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -87.42 -45.16 10.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.697 ' CD1' ' CE2' ' A' ' 130' ' ' PHE . 21.2 mt -78.17 -23.36 47.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 72.08 5.83 62.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.43 119.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 0.722 . . . . 0.0 110.431 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 40.2 mmtt -136.83 16.07 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.613 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 16.5 m-20 91.64 6.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.697 ' CE2' ' CD1' ' A' ' 125' ' ' LEU . 17.5 m-85 -43.25 167.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -108.04 158.17 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.06 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.55 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.8 t -132.8 86.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 105' ' ' ARG . 10.3 mtp180 -88.39 145.82 25.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.56 HG21 ' N ' ' A' ' 136' ' ' GLY . 4.0 mp -104.41 149.75 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.56 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -95.37 105.74 3.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.636 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -111.96 101.53 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . 48.43 175.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.62 141.57 15.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.482 ' HD3' ' CD1' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.97 127.37 10.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -178.99 -129.43 1.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.547 1.154 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -126.86 4.94 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -51.19 13.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.435 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -173.56 92.7 0.35 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.424 1.75 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.72 76.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.435 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -57.45 -37.95 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.26 -32.45 62.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.454 ' CG1' HD13 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -65.31 -36.5 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.227 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.454 HD13 ' CG1' ' A' ' 150' ' ' VAL . 0.3 OUTLIER -92.08 43.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.1 mm-40 -54.88 -48.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 9.8 m-20 91.13 44.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.653 ' O ' ' N ' ' A' ' 158' ' ' GLU . 1.1 m-85 -70.22 18.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.2 OUTLIER -22.27 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.487 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -66.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.45 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -49.3 -43.76 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.704 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.2 mm-40 -72.63 -29.81 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.024 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -60.53 -41.64 94.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.436 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -77.89 -35.8 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.48 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 3.9 mm-40 -78.53 -33.62 47.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.704 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -54.94 -52.22 72.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.024 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -74.98 -34.13 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.48 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -70.0 -49.28 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.596 ' CG2' ' N ' ' A' ' 166' ' ' CYS . 4.6 tp -70.51 -59.83 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.596 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 92.1 m -44.88 -47.29 11.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -57.52 -46.19 84.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.452 ' O ' HG21 ' A' ' 188' ' ' VAL . 0.7 OUTLIER -65.16 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -65.6 -37.36 86.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.03 90.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.48 -43.82 92.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.528 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -57.95 -41.64 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 6.5 m -60.95 -52.97 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.49 -47.23 82.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.509 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.08 -41.52 90.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.7 tt -49.78 -49.05 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 9.6 mt -76.87 -24.35 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.28 -31.4 72.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.21 -71.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -161.86 176.84 38.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 185' ' ' GLN . 4.5 ptp -88.01 -20.27 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -45.65 -50.36 32.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.94 -39.61 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -38.07 89.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.571 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.97 -40.47 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 58.0 t30 -78.47 -20.56 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.1 ttt180 -96.68 -53.06 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.679 ' C ' ' H ' ' A' ' 190' ' ' ALA . 60.4 t -88.04 -58.05 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.4 t-80 -67.93 23.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.679 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -108.03 45.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 108.011 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.68 69.45 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 179.33 81.93 0.18 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.01 164.27 33.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -133.34 140.53 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.4 tt -105.89 149.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.522 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 10.9 t -135.66 142.73 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.4 119.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.47 107.55 3.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.531 1.145 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.648 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -87.04 103.66 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.522 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -140.21 5.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.572 1.17 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.547 ' OD1' ' CG ' ' A' ' 22' ' ' HIS . 1.1 m120 -136.35 126.43 16.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.494 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.2 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . 66.35 134.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 166.97 123.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -54.77 -26.86 37.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.412 ' O ' ' OG1' ' A' ' 20' ' ' THR . 32.4 t80 -92.63 -17.95 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -72.13 -41.95 66.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' THR . 18.3 mmt85 -39.59 -46.1 1.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.519 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 53.9 p -33.43 -38.7 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.61 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.2 ptp180 156.17 -9.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 1.2 t-160 -53.93 -3.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.664 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.61 ' H ' ' C ' ' A' ' 21' ' ' ARG . 51.9 t30 -122.69 36.46 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 5.2 mt -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -53.06 -50.75 50.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.54 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 8.7 t80 -84.23 -24.72 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.557 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 7.9 t -72.92 -41.07 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.456 ' CG1' HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -82.58 -38.85 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -66.94 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.9 t0 -75.22 -48.8 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.49 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -55.71 -50.93 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' CB ' ' A' ' 170' ' ' ALA . 3.2 mt -57.04 -57.33 13.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.97 -21.06 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -78.48 -28.14 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -97.86 -44.77 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -21.46 61.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.84 -5.15 82.12 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -32.77 148.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -134.65 39.92 2.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.73 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -58.09 -152.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -174.93 -163.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.622 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -116.89 113.11 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.523 ' NE2' ' CB ' ' A' ' 48' ' ' ALA . 10.0 p-80 -67.05 144.69 56.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 -49.99 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -37.81 -70.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -42.83 71.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' ALA . . . 95.91 90.0 1.78 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' CB ' ' NE2' ' A' ' 43' ' ' HIS . . . 162.11 -174.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.622 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.5 tp10 -114.65 148.84 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.8 p -158.5 162.5 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.73 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -143.84 125.95 15.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.33 125.6 30.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -126.04 94.38 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' SER . 5.5 mtp180 -114.36 114.7 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.537 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER 164.42 -165.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.973 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 47.57 33.53 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.04 47.06 91.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.9 OUTLIER 171.99 161.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.21 169.38 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.056 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.5 pp -164.96 121.48 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.413 HG12 ' CD1' ' A' ' 6' ' ' LEU . 53.0 t -104.55 103.37 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -89.55 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.47 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -103.8 166.97 10.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.64 109.77 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.682 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.04 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.3 mmt180 -80.25 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.494 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -50.96 -15.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.622 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 11.2 m-85 60.79 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' CYS . 3.8 ttt -42.77 -94.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.71 -34.66 73.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -57.08 -43.57 82.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.682 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 41.1 t -66.42 -49.75 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -46.17 -52.62 10.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.386 1.054 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.979 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.92 -46.08 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.562 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.4 mm-40 -50.11 -48.04 53.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.781 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.6 mm -68.03 -47.44 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.9 -66.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.979 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.02 -46.81 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.812 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.41 -39.63 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.781 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.58 -51.09 54.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -72.77 -16.97 61.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.661 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -74.68 -44.44 50.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -80.51 0.29 34.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.2 p 54.1 47.09 24.04 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -122.74 151.03 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.224 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.79 166.21 35.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.529 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.06 -19.53 17.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.15 -10.19 6.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 56.7 m-20 -110.28 -25.47 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 6' ' ' LEU . 9.7 mt -87.23 137.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.402 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -135.87 143.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' CG2' HG21 ' A' ' 8' ' ' VAL . 22.6 t -120.83 132.38 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -110.07 147.48 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.648 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.0 t-160 -153.74 175.3 13.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.554 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.508 ' CB ' HD11 ' A' ' 24' ' ' LEU . 1.9 p-10 -100.1 141.01 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -152.03 165.66 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -101.31 132.03 47.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -127.33 -78.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 1.3 mp -131.17 -86.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.4 mp0 -89.06 167.53 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 7.5 m-85 -91.73 66.67 5.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.52 44.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.516 ' NE ' ' CD1' ' A' ' 191' ' ' TRP . 0.3 OUTLIER -135.66 163.34 30.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.555 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.3 pp -124.08 164.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.8 tpt180 -146.38 105.99 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.491 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.98 132.48 53.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -152.62 172.89 15.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.514 ' C ' ' CD1' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -118.62 -85.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -56.89 -85.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 35.67 -146.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -132.48 127.34 4.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.517 ' N ' HH22 ' A' ' 132' ' ' ARG . 0.1 OUTLIER -69.85 -17.49 63.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.51 -163.39 18.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.69 68.16 3.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.2 OUTLIER -110.46 128.51 55.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 120' ' ' SER . 1.5 m-80 -72.27 -35.34 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -70.91 -61.19 4.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.17 -50.7 68.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.8 ttm-85 -58.6 -42.36 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.349 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.6 t -66.62 -30.3 70.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.508 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 18.4 t -67.34 -44.52 87.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 127' ' ' THR . 41.6 t -71.89 -29.46 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.09 -41.5 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.61 -47.31 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -78.97 -24.49 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 63.41 8.47 25.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.503 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 0.3 OUTLIER -101.79 -152.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.7 tptt 179.72 78.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -168.94 24.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.209 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.529 ' HA ' ' O ' ' A' ' 87' ' ' PRO . 24.6 p90 -90.27 169.44 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -109.51 159.18 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -136.21 147.2 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 6.1 t -136.42 84.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.0 mpp_? -88.41 145.98 25.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.555 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 2.7 mp -95.82 150.04 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.45 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -104.47 97.51 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.619 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -110.94 100.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.596 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . 61.24 171.65 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.115 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -118.34 157.36 49.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 115.75 4.37 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.406 1.74 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -88.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -112.76 -138.93 7.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -119.56 3.07 11.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -52.41 41.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.54 88.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -75.05 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.77 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.6 -45.48 89.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.71 92.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.18 -26.54 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -71.39 -36.07 59.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.422 ' N ' HG11 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -100.62 46.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -55.71 -88.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.5 t30 151.35 47.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.659 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.3 OUTLIER -74.26 27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.565 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -24.97 -51.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.608 1.192 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.4 Cg_endo -75.09 -66.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.611 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -48.83 -43.08 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.41 -31.33 65.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.006 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.93 -45.48 90.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.498 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -74.55 -36.24 63.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.594 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -75.19 -38.59 60.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.681 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -49.65 -50.95 63.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.006 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.95 -29.01 8.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.507 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.4 OUTLIER -64.95 -59.37 4.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.071 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.594 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.56 -53.78 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.677 ' O ' ' N ' ' A' ' 170' ' ' ALA . 35.2 t -47.24 -47.54 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.368 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -57.83 -47.25 83.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.407 ' HG3' ' CZ3' ' A' ' 191' ' ' TRP . 4.4 tm0? -65.84 -44.99 83.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.56 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.196 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.31 -47.06 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.14 -43.36 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.55 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -60.96 -41.58 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.8 m -63.51 -53.12 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.434 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.9 pt-20 -57.73 -42.52 84.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.434 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.2 tp -70.39 -41.27 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.58 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 3.5 tt -49.24 -47.32 46.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.492 HG21 ' N ' ' A' ' 178' ' ' GLU . 1.4 tt -71.45 -38.56 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.492 ' N ' HG21 ' A' ' 177' ' ' ILE . 0.4 OUTLIER -51.28 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -101.92 -76.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -167.38 -167.18 27.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -86.84 -14.64 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -50.12 -50.37 69.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -74.99 -38.04 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.805 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.2 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.615 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -67.47 -35.55 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.06 -22.89 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.02 -58.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.242 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -62.47 -47.08 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.615 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.03 16.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.561 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -140.1 85.77 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.516 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.516 0.198 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.82 46.09 2.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.5 104.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.2 Cg_endo -75.03 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.603 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -130.75 166.99 19.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.18 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -124.17 139.83 53.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.483 HG12 ' CD1' ' A' ' 91' ' ' ILE . 4.4 t -124.86 142.29 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.23 120.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.423 ' HA3' ' NZ ' ' A' ' 64' ' ' LYS . . . -100.92 110.32 3.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -93.93 108.73 20.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.14 -140.18 5.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.9 128.69 18.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.3 Cg_endo -75.0 -24.62 12.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.54 -147.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.68 -68.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.381 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -46.02 -38.88 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.445 ' CE1' HD21 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -93.41 -20.2 20.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' C ' ' N ' ' A' ' 20' ' ' THR . . . -72.43 -37.57 68.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -44.85 -25.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 18' ' ' ALA . 18.4 p -76.79 24.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.582 ' C ' ' H ' ' A' ' 23' ' ' ASN . 1.4 mtt180 67.97 10.87 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.482 ' CE1' HD23 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -65.68 7.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.582 ' H ' ' C ' ' A' ' 21' ' ' ARG . 8.9 t30 -128.61 40.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.598 1.186 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.475 ' HG ' ' CD1' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -61.76 -45.7 92.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.53 -47.63 68.93 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.669 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 11.2 t80 -81.55 -25.02 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.736 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 10.7 t -76.72 -38.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.6 t -76.73 -47.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -61.42 -44.72 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.61 1.194 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.2 t70 -66.12 -39.74 90.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.507 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.19 -58.27 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.73 -52.4 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.9 -20.76 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.26 -28.29 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -83.63 -41.88 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.95 16.02 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 43.53 27.68 0.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . -45.9 173.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.03 58.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.607 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.61 -158.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.585 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.62 -163.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -144.33 150.92 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' ALA . 66.2 t60 -130.57 156.17 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' ARG . 2.3 pttp -62.87 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 36.89 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.361 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.461 ' CB ' HD22 ' A' ' 79' ' ' LEU . 33.0 m -66.48 57.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -125.65 -55.65 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 45.1 -169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.562 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 9.5 tp10 -76.41 149.3 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 11.0 p -173.06 158.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -143.63 126.77 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.72 127.21 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -117.56 118.45 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -141.55 91.35 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -170.05 -162.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 46.33 25.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.14 42.06 96.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 177.97 152.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -81.08 -177.12 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.057 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER 174.11 114.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.92 106.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.602 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -92.38 108.27 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -113.56 170.11 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.495 ' CD ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 177.71 118.84 0.18 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.686 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 -152.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.502 ' C ' ' N ' ' A' ' 68' ' ' TYR . 3.0 mmt-85 -90.06 -85.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.462 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -45.51 -22.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.86 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.5 m-85 61.85 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.517 ' C ' ' O ' ' A' ' 68' ' ' TYR . 53.8 ttm -27.67 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -70.79 -32.84 70.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.77 -32.71 72.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.6 t -78.83 -55.24 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.72 -50.93 8.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.951 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.13 -47.32 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.75 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -43.32 -51.37 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.773 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.78 -44.96 85.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.515 ' N ' HG22 ' A' ' 76' ' ' ILE . . . -29.21 -70.42 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.951 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.96 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.564 ' N ' HD21 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -53.46 -39.63 64.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.8 -50.48 56.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -16.98 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.645 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -75.74 -44.41 41.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -85.31 -12.1 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.05 51.69 11.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.469 HG13 ' CG1' ' A' ' 90' ' ' ILE . 9.8 p -95.28 168.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.69 156.83 44.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.63 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.2 14.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.603 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 28.3 m-20 -116.1 -23.67 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.469 ' CG1' HG13 ' A' ' 85' ' ' VAL . 84.6 mt -86.57 122.97 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.483 ' CD1' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -128.03 116.9 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 50.8 t -105.48 121.91 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.68 146.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.584 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 12.8 t-160 -157.19 164.62 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.534 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -96.17 144.42 26.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 135' ' ' ILE . 4.3 t0 -151.76 179.35 8.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 150' ' ' VAL . 1.3 pt? -107.14 105.18 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.436 ' CB ' ' HA3' ' A' ' 136' ' ' GLY . 3.2 t0 -124.17 -68.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.431 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 4.5 mp -119.58 -125.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.588 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -80.3 -175.1 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -91.78 64.66 4.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.524 ' CA ' HG22 ' A' ' 165' ' ' ILE . . . 167.08 45.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -135.31 125.63 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.417 HG13 HG13 ' A' ' 165' ' ' ILE . 1.3 pp -98.32 153.91 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 134' ' ' ARG . 3.2 mmt180 -143.97 116.6 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.498 ' HA ' ' HA ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.11 129.33 51.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -135.84 179.25 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.515 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -119.24 -89.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.515 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -125.39 48.0 0.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.97 -68.48 1.6 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.53 100.81 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -41.09 135.35 1.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.68 54.54 3.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 38.05 45.01 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.91 138.67 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.39 -43.9 75.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.32 -48.59 84.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.66 -48.27 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.451 ' O ' HG11 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -59.67 -36.0 75.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.0 t -74.53 -29.31 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 125' ' ' LEU . 2.2 t -71.87 -43.86 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.592 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.96 -41.14 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.421 ' N ' HG11 ' A' ' 122' ' ' VAL . . . -74.01 -35.13 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -77.47 -51.51 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.748 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 22.5 mt -78.54 -21.13 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.592 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 77.59 0.6 73.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.423 ' OG1' ' CG2' ' A' ' 122' ' ' VAL . 0.4 OUTLIER 77.02 120.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 53.6 mmtt -146.67 15.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 9.0 t0 87.66 20.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.748 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 75.2 m-85 -55.4 153.79 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -93.75 155.46 17.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -144.45 149.58 36.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 6.2 t -128.5 89.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 105' ' ' ARG . 9.1 mtp180 -88.75 145.46 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 96' ' ' ASP . 2.3 mp -105.61 142.56 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.03 107.35 3.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.628 ' O ' ' C ' ' A' ' 138' ' ' GLY . 2.3 pt -100.92 154.06 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.628 ' C ' ' O ' ' A' ' 137' ' ' ILE . . . -15.4 124.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' LEU . 9.7 ptt180 -105.64 158.0 33.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 142.6 28.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.61 1.848 . . . . 0.0 111.063 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.482 ' CD ' ' HE3' ' A' ' 144' ' ' LYS . 18.3 Cg_endo -74.99 -63.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 143' ' ' ARG . . . -157.06 102.07 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.569 1.168 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 142' ' ' GLY . 0.5 OUTLIER 36.81 57.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.266 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.482 ' HE3' ' CD ' ' A' ' 141' ' ' PRO . 7.2 ttmt -110.92 -80.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.473 ' OD1' ' CB ' ' A' ' 148' ' ' ALA . 4.1 m-20 -149.68 92.42 4.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.415 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -75.04 -66.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.89 70.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.473 ' CB ' ' OD1' ' A' ' 145' ' ' ASP . . . -59.59 -44.32 93.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 138' ' ' GLY . 9.7 t80 -78.16 -27.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -67.85 -32.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.482 HD23 ' CE1' ' A' ' 22' ' ' HIS . 60.3 mt -105.02 44.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.709 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -63.21 -101.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 2.9 t-20 136.25 46.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.63 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -68.7 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.599 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -20.62 -51.95 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.533 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.04 -75.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.576 1.83 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.53 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -45.68 -38.12 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.63 ' N ' ' O ' ' A' ' 154' ' ' PHE . 1.0 OUTLIER -75.06 -32.76 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.3 -43.71 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.459 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -77.51 -34.57 54.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.643 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 5.5 tp10 -74.34 -37.36 63.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.575 ' N ' ' O ' ' A' ' 158' ' ' GLU . 0.9 OUTLIER -54.04 -52.6 66.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.643 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -62.78 -54.65 35.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 110.377 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.599 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -77.22 -53.37 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.563 ' O ' ' CB ' ' A' ' 170' ' ' ALA . 57.8 m -42.0 -44.84 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -69.78 -47.08 64.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -63.96 -45.86 87.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -71.31 -35.18 71.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -55.89 -48.97 74.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -68.28 -40.53 81.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.615 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.2 m -64.56 -51.44 62.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.9 pt-20 -56.66 -42.99 79.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' A' ' 178' ' ' GLU . 1.4 tp -69.36 -38.0 77.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.6 tt -52.97 -47.88 67.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.5 mt -81.41 -20.93 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.449 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -57.91 -60.88 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.59 -71.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.48 -177.18 25.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -11.58 35.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -51.43 -47.51 88.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -37.56 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.792 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -44.46 87.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.0 tt0 -68.03 -36.62 80.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 13.5 t30 -82.2 -21.96 36.18 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -102.1 -57.6 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.792 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -65.66 -51.49 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -73.32 8.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -138.24 94.43 2.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.507 0.194 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.09 88.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -144.5 74.1 15.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.24 18.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -131.87 137.84 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.658 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.14 138.16 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.515 ' CG1' HG13 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -126.4 140.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.07 122.35 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.324 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.99 107.6 3.26 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.534 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -94.2 93.4 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 0.703 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -119.2 -149.61 8.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 2.9 m120 -134.29 128.99 19.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.75 -166.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -143.82 -172.41 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.368 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.608 ' CE1' HD13 ' A' ' 151' ' ' LEU . 1.9 t80 -67.6 -22.57 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -43.6 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 20' ' ' THR . 4.4 tpt180 -44.73 -49.75 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.673 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 72.5 p -26.34 -44.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 110.396 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.55 -15.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 1.1 t-160 -53.29 -5.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.9 t-20 -103.64 18.47 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -53.62 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.491 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -31.16 -63.87 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 4.4 t80 -64.95 -36.83 85.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 111.052 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -58.85 -44.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.484 ' CG2' HD11 ' A' ' 93' ' ' ILE . 81.8 t -64.63 -48.97 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.535 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -55.99 -46.37 78.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -45.82 73.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.5 -62.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 5.9 mt -55.76 -33.02 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.633 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . . . -71.34 -26.29 62.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.19 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -92.65 -43.44 9.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.715 HD23 ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -72.27 -34.7 68.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.577 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 91.26 -41.15 2.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.715 ' N ' HD23 ' A' ' 36' ' ' LEU . . . -26.25 137.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -95.81 74.07 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.738 ' CD1' ' HB2' ' A' ' 51' ' ' ALA . 18.8 m-85 -32.13 148.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.55 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -115.94 -175.41 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.77 139.85 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -138.48 151.84 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.54 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.6 mmmt -65.56 -171.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.6 ttt85 34.52 -144.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 72.7 p -68.4 55.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -121.44 -58.1 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.546 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 45.73 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 0.741 . . . . 0.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.2 tp10 -86.98 148.15 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -173.83 163.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.738 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . . . -165.55 147.07 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.065 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.11 127.41 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' O ' ' CD2' ' A' ' 60' ' ' LEU . . . -122.14 109.65 1.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -109.76 115.84 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 0.728 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.89 -157.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.27 32.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 57.37 51.69 56.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.1 OUTLIER 165.49 155.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.06 164.15 23.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -158.01 127.06 5.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.418 HG12 ' HG ' ' A' ' 6' ' ' LEU . 23.6 t -103.79 110.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.604 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.7 tm? -101.26 125.46 47.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.507 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -140.08 165.56 27.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.629 ' NZ ' ' CD1' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -177.23 117.15 0.26 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.67 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.3 Cg_endo -74.91 -157.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.478 ' C ' ' N ' ' A' ' 68' ' ' TYR . 82.1 mmt-85 -80.81 -83.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.42 ' HA ' ' HG3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -49.98 -17.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.644 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.6 m-85 61.74 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.481 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 30.7 ttm -39.27 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.675 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 7.6 p-10 -62.4 -41.85 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 2.7 tp10 -50.93 -44.63 60.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.063 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.67 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 46.8 t -66.0 -45.71 80.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.053 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.56 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -46.52 -52.55 10.83 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.18 -50.31 11.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.1 mm-40 -46.39 -48.14 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.727 ' O ' ' N ' ' A' ' 80' ' ' ALA . 51.8 mt -68.89 -48.1 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.59 -66.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.9 -45.61 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.521 ' CD2' ' O ' ' A' ' 46' ' ' SER . 22.5 mt -54.36 -41.72 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.727 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.28 -45.21 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -77.69 -16.72 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.6 t80 -76.55 -39.59 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -79.35 -2.37 41.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t 48.98 45.5 22.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG22 ' ND2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -120.79 163.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.36 154.25 59.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.519 ' O ' HG21 ' A' ' 90' ' ' ILE . 18.5 Cg_endo -74.96 -10.08 21.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -11.94 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.658 ' O ' ' N ' ' A' ' 6' ' ' LEU . 15.6 p30 -108.77 -15.27 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.519 HG21 ' O ' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -85.56 128.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.515 HG13 ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -137.71 118.42 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.507 ' CG2' ' HB3' ' A' ' 10' ' ' LEU . 7.7 p -102.57 128.02 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -101.2 148.76 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.472 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 8.1 t-160 -155.19 -179.98 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.527 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 2.3 p30 -105.01 139.58 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.527 ' C ' ' CD1' ' A' ' 137' ' ' ILE . 4.4 t0 -148.23 155.78 41.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.482 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 0.3 OUTLIER -92.67 115.09 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.89 -69.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.495 ' CD2' ' HG3' ' A' ' 100' ' ' GLU . 8.3 tp -131.5 -105.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.495 ' HG3' ' CD2' ' A' ' 99' ' ' LEU . 14.2 mt-10 -88.23 179.12 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.662 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.26 75.11 5.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.59 40.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.526 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -132.39 157.33 44.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.523 HG21 ' CD1' ' A' ' 165' ' ' ILE . 0.7 OUTLIER -114.31 163.22 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 13.0 tpt180 -151.05 100.59 2.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.472 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -101.67 129.61 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -147.56 165.37 30.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.516 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.4 tp -119.2 -86.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.516 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -58.06 -48.46 82.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.607 1.192 . . . . 0.0 111.063 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.448 ' HA3' ' NH2' ' A' ' 132' ' ' ARG . . . 40.06 -99.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -166.05 -56.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 2.3 tm-20 90.32 21.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 0.829 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.14 146.4 25.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.36 54.84 18.53 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.478 ' CG ' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -148.98 107.49 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.671 179.917 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 120' ' ' SER . 9.2 m-80 -66.45 -54.07 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 121' ' ' VAL . . . -53.35 -60.98 7.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 115' ' ' HIS . 9.6 mt -51.12 -43.73 61.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 122' ' ' VAL . 7.3 ttt180 -65.93 -33.9 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.42 ' O ' ' HB1' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.513 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 4.0 t -72.87 -41.72 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.46 -43.45 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.38 77.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.182 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.56 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.27 -44.03 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.593 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 34.5 mt -76.56 -24.61 53.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 67.95 4.04 32.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.462 1.102 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.514 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 14.6 t -123.75 -176.54 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.405 ' C ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -154.67 48.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.05 -2.37 12.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.524 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 4.4 p90 -77.96 170.89 15.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.436 ' CB ' HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -126.04 168.91 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.456 ' CD ' HD11 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -141.05 150.28 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.7 t -122.99 87.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 7.0 mtp180 -86.01 146.92 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 4.4 mp -103.53 148.16 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 96' ' ' ASP . . . -93.57 98.85 2.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.662 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -106.99 101.6 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.78 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 53.38 169.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -146.76 160.27 41.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.482 ' HD3' ' CD1' ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.09 141.91 26.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -26.98 10.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -175.04 -83.54 0.06 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.53 1.144 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.41 42.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.753 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 145' ' ' ASP . 11.5 ttmt -87.82 -80.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.431 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 19.2 m-20 -166.83 100.94 0.66 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.56 -39.76 77.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -64.08 -46.02 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.308 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -20.79 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.505 HG22 ' CG1' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -83.31 -31.45 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.344 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.608 HD13 ' CE1' ' A' ' 17' ' ' TYR . 1.6 mm? -92.64 42.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 20.5 mt-10 -70.81 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.575 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 15.2 t30 150.91 47.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.618 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -71.02 30.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 110.985 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -20.54 -53.07 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.505 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.612 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -47.31 -39.05 13.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.666 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.0 OUTLIER -74.0 -32.75 63.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.0 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.41 -42.41 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.474 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -77.42 -35.55 54.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.571 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 17.2 mm-40 -76.75 -36.58 57.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.666 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -52.63 -50.76 78.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.0 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.551 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -59.8 -54.13 49.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.571 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -74.62 -53.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.481 ' N ' HD13 ' A' ' 165' ' ' ILE . 51.3 m -43.8 -49.12 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -63.35 -47.19 83.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.584 ' HG3' ' CH2' ' A' ' 191' ' ' TRP . 0.7 OUTLIER -62.01 -42.03 98.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.45 ' CB ' HG22 ' A' ' 104' ' ' ILE . . . -65.64 -43.74 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.06 71.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.07 -44.15 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.556 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -56.88 -44.18 82.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 24.5 m -63.55 -52.58 60.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.57 -45.3 89.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.478 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.96 -38.42 86.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 1.1 tt -54.15 -50.23 67.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.6 mt -74.23 -25.0 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -43.32 99.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.0 -70.61 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -155.39 178.99 31.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.7 ptt? -91.25 -17.85 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -49.99 -45.87 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.08 -37.94 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.397 1.735 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.603 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.2 tt0 -70.3 -40.53 74.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.532 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 22.6 t-20 -82.74 -23.43 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -90.26 -54.33 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.592 ' N ' ' O ' ' A' ' 184' ' ' ALA . 21.2 t -81.52 -52.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.603 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.88 16.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.565 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -68.29 -37.19 80.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.383 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.584 ' CH2' ' HG3' ' A' ' 168' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 108.029 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.495 0.188 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.21 90.61 1.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -175.21 74.04 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.938 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.03 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.48 141.84 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -115.38 142.43 46.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.48 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 42.6 t -127.31 147.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.499 HG13 ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.91 127.13 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 25' ' ' GLY . . . -97.22 114.13 4.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.603 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -95.87 96.43 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.727 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.91 -162.24 20.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.416 ' CG ' ' HB3' ' A' ' 22' ' ' HIS . 4.4 m120 -130.6 113.17 16.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.5 Cg_endo -74.94 2.99 5.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -44.73 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -179.05 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -45.82 -34.4 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CE2' HD13 ' A' ' 151' ' ' LEU . 2.0 t80 -69.25 -36.93 77.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.6 -38.64 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt180 -43.5 -46.24 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.602 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 59.1 p -32.1 -36.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.602 ' CB ' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER 150.33 -9.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -61.22 3.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.628 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.587 ' H ' ' C ' ' A' ' 21' ' ' ARG . 6.6 t30 -113.58 31.69 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.394 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 ' CD1' ' CG2' ' A' ' 28' ' ' VAL . 1.4 mm? -66.93 -60.95 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -36.84 -42.45 0.72 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.697 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 14.3 t80 -84.17 -40.23 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 19.4 t -64.79 -41.21 91.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 42.7 t -76.03 -48.16 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -53.82 -43.91 69.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 17.0 t70 -69.1 -46.47 67.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -51.9 -53.01 45.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.3 mt -55.41 -63.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . . . -60.47 -13.92 16.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.13 -18.59 21.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -102.85 -41.13 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -19.84 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.09 -6.87 78.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' THR . . . -39.28 142.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.74 58.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.623 ' CE2' ' CG2' ' A' ' 50' ' ' VAL . 2.4 t80 -78.23 -106.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -164.7 -167.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.555 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -148.85 159.94 43.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.372 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 25.8 t60 70.07 -95.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 50.47 -179.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -49.68 -41.05 42.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 p -47.33 -52.71 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.954 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.19 49.2 1.92 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 -179.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 176.32 171.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.4 tp10 -78.98 148.26 32.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.244 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.623 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -152.48 134.91 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' CB ' ' HB3' ' A' ' 33' ' ' ALA . . . -145.16 106.98 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -72.9 151.09 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.455 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -143.92 120.81 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -109.52 111.62 23.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 58' ' ' ARG . 3.2 t -177.47 -161.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 40.19 31.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 57.76 47.02 91.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER 172.84 152.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -81.14 164.35 22.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.8 OUTLIER -155.09 120.93 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.483 ' CG1' HD11 ' A' ' 6' ' ' LEU . 44.8 t -101.13 108.09 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.48 ' CD2' ' HB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -93.98 109.88 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' CB ' HG13 ' A' ' 50' ' ' VAL . . . -122.92 165.8 16.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.81 117.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -156.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.48 ' C ' ' N ' ' A' ' 68' ' ' TYR . 27.8 mmt180 -83.64 -86.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.34 -18.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 108.343 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.697 ' OH ' ' CD1' ' A' ' 26' ' ' PHE . 17.0 m-85 62.19 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.465 ' HE1' ' CB ' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -39.96 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -63.15 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.413 1.071 . . . . 0.0 109.203 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.593 ' O ' ' HD3' ' A' ' 74' ' ' ARG . 0.4 OUTLIER -58.21 -47.77 82.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.1 t -65.55 -47.34 76.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -46.52 -52.22 11.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 1.09 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -81.85 -35.81 28.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.611 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 3.1 mm-40 -62.03 -46.19 90.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.699 ' O ' ' N ' ' A' ' 80' ' ' ALA . 1.5 mp -71.06 -50.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.87 -63.36 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 1.09 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.99 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.85 -40.85 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.24 -47.4 70.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -16.26 59.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.6 t80 -75.88 -44.24 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.506 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 12.9 m-85 -81.69 -10.16 59.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.7 t 55.12 49.96 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.506 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 23.2 t -101.12 172.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.44 153.83 68.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.94 -32.72 5.25 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.69 2.9 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' LEU . 84.5 m-20 -104.46 -21.71 13.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 80' ' ' ALA . 11.6 mt -87.48 133.68 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.494 ' C ' ' CD1' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -137.62 119.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 133' ' ' VAL . 48.2 t -104.53 130.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.224 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -108.89 147.49 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.603 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.8 t-160 -152.9 171.85 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.517 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 18.7 t70 -108.54 143.62 37.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.73 153.4 22.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.456 ' HA ' ' C ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -85.69 115.37 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.256 -179.898 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -108.31 -79.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -134.43 -71.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -89.02 163.05 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -96.23 39.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.483 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -170.4 46.1 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.676 ' NE ' ' CD1' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -134.13 171.58 14.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.3 pp -124.48 165.61 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.82 95.68 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -101.3 147.8 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.52 ' N ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -155.77 163.21 40.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -97.33 -54.68 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -153.77 67.67 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.88 -69.54 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 113' ' ' GLY . . . 165.29 96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.462 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 0.4 OUTLIER -41.24 -27.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 111' ' ' GLY . . . 43.21 -108.09 0.15 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.584 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -93.12 81.47 1.07 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 41.4 m80 -160.89 101.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.465 ' CB ' ' HE1' ' A' ' 69' ' ' MET . 6.8 m-20 -63.12 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.412 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -58.53 -65.74 3.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.408 ' HG ' ' HB3' ' A' ' 115' ' ' HIS . 9.1 mt -51.78 -45.4 63.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -35.75 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 -31.41 69.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.35 -44.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 126' ' ' GLY . 33.7 t -71.42 -26.66 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.81 64.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -84.04 -45.09 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.65 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 22.9 mt -78.56 -21.89 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.08 8.39 78.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.583 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.6 OUTLIER 83.85 164.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.34 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.674 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 14.5 mmtt 155.83 -3.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.674 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 10.5 t0 138.69 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.65 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 31.0 m-85 58.39 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -111.74 158.46 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.29 147.7 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 11.1 t -134.41 81.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.7 146.62 26.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' A' ' 94' ' ' HIS . 2.5 mp -95.77 146.17 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.1 101.91 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.548 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 1.6 pp -118.72 79.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . -105.21 166.65 14.58 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER 176.37 61.94 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.4 Cg_endo -74.98 113.64 3.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.593 1.838 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -29.55 7.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 153.16 65.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 50.61 54.72 10.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 0.77 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -104.82 -75.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.497 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.3 OUTLIER -161.95 102.54 1.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.932 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.71 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.82 . . . . 0.0 111.023 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.4 -45.35 72.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.497 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -60.37 -40.0 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 139' ' ' ARG . 0.5 OUTLIER -72.9 -28.39 62.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.482 ' CG2' HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -67.46 -41.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 17' ' ' TYR . 84.2 mt -89.53 49.24 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -79.38 -112.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.581 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.9 t30 159.64 47.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.627 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -70.05 27.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.584 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -22.41 -52.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.502 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.91 -71.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.627 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.26 -42.71 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.7 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.7 mt-10 -74.3 -28.92 61.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.997 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.72 -45.32 89.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.938 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.464 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -77.89 -34.27 51.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.59 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 11.6 tp10 -76.12 -37.18 58.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.7 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.5 -50.38 83.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.997 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -28.86 8.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.414 1.744 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.562 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -63.47 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.59 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.83 -54.02 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.49 ' N ' HD11 ' A' ' 165' ' ' ILE . 56.6 m -45.91 -46.33 15.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.3 tt0 -59.58 -44.71 93.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -67.91 -40.25 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -71.87 -41.92 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.03 -43.03 81.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.14 -42.84 83.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.542 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.75 -40.84 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.2 m -63.69 -53.73 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.453 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -62.73 -39.28 93.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -44.15 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.474 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 4.2 tt -52.89 -43.94 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.6 mt -79.39 -23.61 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -62.01 -43.62 98.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -143.5 -72.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.239 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.474 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -155.25 177.88 32.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 17.8 ttt -89.58 -10.73 44.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.0 mp0 -49.25 -47.42 76.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.99 -38.14 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.715 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -40.68 93.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.646 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.7 tt0 -70.21 -37.64 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 54.5 t30 -82.87 -21.54 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.82 -56.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.715 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -72.21 -54.75 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -67.11 0.26 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -138.87 94.65 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.676 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.5 0.191 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.15 92.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.465 ' O ' ' NE ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER 175.66 103.52 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.75 137.83 48.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -118.2 138.94 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.475 HG22 ' CD1' ' A' ' 91' ' ' ILE . 19.6 t -129.83 144.42 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.36 120.28 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.64 107.22 3.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.631 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -94.04 106.01 18.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.52 -143.73 5.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . 2.4 m-80 -135.07 128.97 18.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.456 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -173.77 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.386 1.73 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -34.1 115.54 0.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 167.71 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.43 -11.99 19.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.659 ' CE1' ' CD1' ' A' ' 151' ' ' LEU . 0.6 OUTLIER -70.24 -18.18 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.33 -30.85 65.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.477 ' C ' ' H ' ' A' ' 21' ' ' ARG . 20.1 mmt180 -37.99 -41.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.549 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -75.9 38.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' C ' ' H ' ' A' ' 23' ' ' ASN . 5.8 mmp_? 54.09 22.37 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -65.91 8.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.649 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.584 ' H ' ' C ' ' A' ' 21' ' ' ARG . 5.2 t-20 -131.55 44.72 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -63.42 -51.28 66.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.472 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -48.91 -44.61 31.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 7.4 t80 -84.06 -29.27 26.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 0.806 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 4.8 t -71.69 -36.49 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.471 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 7.8 p -80.53 -51.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.51 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -56.94 -33.99 67.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 23.2 t70 -72.85 -53.41 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.1 OUTLIER -53.43 -51.78 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mt -55.14 -57.74 10.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.49 ' CB ' ' HB1' ' A' ' 38' ' ' ALA . . . -60.86 -18.03 53.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.0 -27.28 30.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -98.95 -42.81 6.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.43 -21.71 63.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.24 -7.4 81.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' HB1' ' CB ' ' A' ' 33' ' ' ALA . . . -32.92 147.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 0.791 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.86 76.46 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.705 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.55 -166.74 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.83 -163.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.439 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -112.27 141.74 45.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.063 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 47' ' ' GLY . 14.9 t60 -110.22 110.19 20.94 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -51.13 27.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -40.36 -54.23 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.6 p -83.03 -46.4 12.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' HIS . . . 98.02 66.03 0.89 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 172.61 173.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.8 mm-40 -84.72 147.85 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -144.0 124.76 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.705 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -115.29 111.17 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.44 124.66 32.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.43 131.6 5.59 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -141.18 98.09 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 110.243 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -164.43 -158.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.77 42.45 98.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.465 ' NE ' ' O ' ' A' ' 3' ' ' GLU . 1.6 mmt-85 178.93 155.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.03 177.95 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 pp -175.16 107.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.407 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 4.1 t -107.69 101.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -96.57 111.22 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -122.26 168.99 11.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HE3' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -178.34 118.62 0.24 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.635 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -158.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.582 1.833 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 40.7 mmt-85 -84.26 -83.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -46.39 -19.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 9.3 m-85 61.01 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' CYS . 34.4 ttp -33.28 -90.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -69.6 -33.4 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -58.8 -32.87 69.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.214 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -80.14 -51.68 8.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.519 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -47.87 -49.45 22.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.407 1.067 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.98 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.8 -44.08 42.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.793 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.56 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.5 tm0? -47.9 -50.08 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 7.4 mt -68.0 -45.31 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -67.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.98 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.11 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.46 -40.16 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.757 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.24 -49.64 59.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -16.5 61.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.701 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -76.96 -43.59 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.402 ' CD1' ' HD1' ' A' ' 82' ' ' PHE . 12.2 m-85 -88.68 -13.46 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.7 t 53.57 48.73 21.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.503 ' CG2' ' ND2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -95.59 162.47 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -82.05 150.11 64.24 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.01 -4.53 15.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.53 -1.47 53.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.621 ' O ' ' N ' ' A' ' 6' ' ' LEU . 27.4 p30 -116.65 -16.89 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -86.74 124.85 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 114.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 133' ' ' VAL . 9.9 p -102.87 123.77 56.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.564 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.4 OUTLIER -106.48 141.14 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.631 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 11.1 t-160 -161.16 168.79 23.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.554 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.585 ' O ' ' CE1' ' A' ' 115' ' ' HIS . 1.0 OUTLIER -101.99 143.57 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 115' ' ' HIS . 8.8 t0 -137.55 152.82 49.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 150' ' ' VAL . 3.3 mp -83.97 85.03 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -132.54 -43.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.645 ' C ' ' H ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -135.76 90.39 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.811 ' N ' ' H ' ' A' ' 138' ' ' GLY . 16.8 tt0 -67.01 33.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.645 ' H ' ' C ' ' A' ' 99' ' ' LEU . 5.5 m-85 -104.11 -54.94 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.2 50.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.538 ' CD ' ' O ' ' A' ' 104' ' ' ILE . 1.3 tmm_? -115.07 161.1 18.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.743 . . . . 0.0 110.298 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.581 ' CG2' ' CG1' ' A' ' 165' ' ' ILE . 1.0 OUTLIER -109.01 149.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.7 ttp85 -138.88 104.93 5.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 107' ' ' LYS . 0.4 OUTLIER -103.23 141.14 36.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 106' ' ' LEU . 0.3 OUTLIER -166.82 -168.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 1.1 tp -115.69 -131.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -95.45 63.99 1.35 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.74 25.02 1.8 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.49 -92.85 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 43.94 58.67 3.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 0.777 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.06 -95.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.89 64.89 0.59 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' ASP . 20.0 m170 -114.79 119.0 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -28.16 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.458 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -67.93 -57.37 8.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.44 -48.65 76.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.366 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -36.63 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -70.91 -30.34 66.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.519 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.5 t -68.42 -44.99 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.543 HG11 ' CB ' ' A' ' 127' ' ' THR . 12.2 t -72.94 -27.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -87.84 -42.57 12.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.725 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 46.6 mt -79.34 -23.4 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.49 5.72 78.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.543 ' CB ' HG11 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 82.74 117.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.796 . . . . 0.0 110.418 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.66 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 15.0 tptt -137.36 6.08 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.599 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 14.0 t0 89.74 19.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.227 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.725 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 67.1 m-85 -54.1 155.39 3.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -96.57 155.34 16.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.403 ' O ' HD13 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -144.21 146.11 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.4 t -123.58 86.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -88.09 143.28 27.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.496 ' HB ' ' OD1' ' A' ' 95' ' ' ASP . 3.6 mp -104.18 150.62 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . -93.57 115.25 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.536 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 2.0 pp -154.62 77.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 0.824 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.811 ' H ' ' N ' ' A' ' 100' ' ' GLU . . . 157.67 178.83 32.08 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 171.45 73.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.584 0.814 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.6 6.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -65.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 168.6 132.84 1.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 43.1 39.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.47 -64.77 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.6 OUTLIER 168.77 95.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -52.78 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.14 91.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -59.41 -42.02 90.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.443 ' O ' ' CD ' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -75.83 -29.99 58.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.479 ' HA ' ' CD2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -64.82 -36.18 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.336 179.902 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.659 ' CD1' ' CE1' ' A' ' 17' ' ' TYR . 2.6 mp -101.91 41.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 151' ' ' LEU . 2.0 mp0 -29.12 -51.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.536 ' C ' ' H ' ' A' ' 155' ' ' THR . 23.7 t30 67.57 30.55 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.601 ' O ' ' C ' ' A' ' 155' ' ' THR . 0.7 OUTLIER -72.44 21.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.3 -52.51 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.557 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.06 -72.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 161' ' ' GLU . . . -46.36 -41.41 13.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.758 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.6 OUTLIER -75.53 -28.69 59.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -56.9 -45.41 82.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -80.19 -33.23 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.618 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.0 mm-40 -77.23 -34.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.758 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -57.11 -50.5 87.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -28.0 9.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.618 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.8 OUTLIER -58.31 -56.55 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.35 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.581 ' CG1' ' CG2' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -77.11 -47.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.533 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 30.3 m -46.4 -44.88 17.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.574 1.171 . . . . 0.0 108.367 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.2 tt0 -69.54 -44.52 70.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.12 -46.85 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.65 86.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.95 -42.09 75.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.2 t0 -66.33 -41.88 88.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.606 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -57.72 -40.54 79.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.6 m -63.88 -54.24 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.394 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.618 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -61.04 -34.28 74.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.618 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -73.28 -46.02 52.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.427 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 3.9 tt -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.371 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 15.9 mt -82.23 -26.3 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.3 -45.0 88.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -147.8 -71.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -150.73 177.92 28.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -92.82 -5.7 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -52.34 -45.53 94.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.97 -37.24 2.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.58 -38.97 88.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.626 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.0 tt0 -70.78 -37.8 73.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 50.3 t30 -83.63 -21.33 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.12 -57.0 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.704 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.5 OUTLIER -70.05 -58.13 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.626 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -61.84 -10.6 9.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.642 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -129.11 90.47 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.044 179.989 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 tpp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.513 0.197 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.26 122.0 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -177.04 72.12 0.23 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.584 1.177 . . . . 0.0 110.285 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.456 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.99 148.5 35.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.513 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.57 136.21 51.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.662 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -103.81 143.91 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 62' ' ' LEU . 21.2 t -120.93 142.18 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -137.41 117.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.01 111.51 3.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.15 95.07 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.406 ' H ' ' HB3' ' A' ' 68' ' ' TYR . . . -113.02 -147.88 10.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' HIS . 2.8 m120 -136.92 118.73 11.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.0 130.51 13.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.801 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . 46.25 -170.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.415 1.072 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 82.34 139.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.06 -8.03 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' CE2' ' CB ' ' A' ' 151' ' ' LEU . 0.2 OUTLIER -87.39 -16.76 34.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.28 -37.66 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -60.52 -52.64 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.653 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 13.7 t -30.32 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.692 ' NH1' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER 145.36 -3.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.7 t-160 -65.43 8.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' ARG . 20.7 t-20 -118.39 21.78 12.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.542 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -49.74 -45.54 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.65 -60.66 4.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 21.2 t80 -77.55 -24.3 49.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 0.789 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.542 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 2.0 t -69.07 -42.03 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.0 t -74.6 -51.02 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.495 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -56.99 -34.51 68.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ALA . 5.5 m-20 -67.82 -53.06 29.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.69 -56.12 13.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.15 -32.4 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.686 ' CB ' ' CE1' ' A' ' 40' ' ' PHE . . . -75.25 -24.51 57.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.34 -27.57 34.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -42.94 14.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.24 -43.66 64.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.07 -8.42 79.85 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.16 146.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.33 82.1 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.766 ' CD2' ' HB1' ' A' ' 51' ' ' ALA . 59.6 m-85 -61.45 -178.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -154.12 -167.96 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.631 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -174.01 140.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.504 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -133.18 -175.43 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.567 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 -175.77 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER 48.89 -105.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 45' ' ' ARG . 74.4 m -106.79 45.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -114.12 -65.28 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 42' ' ' ALA . . . 50.19 -177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.509 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 2.7 tp10 -81.37 148.31 29.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.594 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.6 p 177.85 166.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.766 ' HB1' ' CD2' ' A' ' 40' ' ' PHE . . . -169.65 146.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.79 127.44 32.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -121.46 108.02 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.11 122.99 48.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 172.12 -163.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.07 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.39 42.05 99.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 178.63 153.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 1.7 m -80.59 164.45 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -161.56 117.88 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.491 ' CG1' HD13 ' A' ' 6' ' ' LEU . 79.2 t -100.33 103.83 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.9 tm? -91.7 114.96 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.517 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -126.48 174.14 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 175.62 117.63 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.318 -179.915 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.64 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -75.01 -154.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.507 ' C ' ' N ' ' A' ' 68' ' ' TYR . 77.6 mmt-85 -80.73 -84.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -49.6 -16.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 108.321 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.67 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.429 ' O ' ' O ' ' A' ' 68' ' ' TYR . 14.7 ttm -38.56 -94.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.685 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 8.3 t30 -59.36 -41.55 89.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.551 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 1.1 tp10 -50.66 -45.91 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.64 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 47.6 t -64.21 -47.32 80.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -45.61 -53.81 8.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.28 -49.32 13.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 110.351 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.588 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 12.7 mm-40 -47.6 -48.77 28.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.737 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.0 mm -67.2 -46.35 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.99 -69.3 0.1 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.93 -47.89 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -51.71 -40.8 60.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.737 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.27 -50.84 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -16.76 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.712 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -75.31 -41.22 57.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -79.36 6.19 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t 53.01 46.73 26.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.046 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.1 t -129.95 151.07 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.36 155.39 69.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -13.42 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.48 -10.44 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 32.7 m-20 -110.49 -1.96 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 51.3 mt -95.69 136.1 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.534 ' CG2' ' CD ' ' A' ' 131' ' ' GLN . 0.8 OUTLIER -130.77 118.02 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.457 HG11 ' CG ' ' A' ' 132' ' ' ARG . 9.9 p -99.46 121.82 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.547 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -101.48 146.33 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.523 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 8.6 t-160 -161.17 -179.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.462 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.5 p30 -112.61 139.68 48.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' HG13 ' A' ' 137' ' ' ILE . 13.6 t0 -144.79 150.09 36.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.61 103.39 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.7 -80.53 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.93 -76.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -86.94 165.08 16.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.692 ' CE1' ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.92 37.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.51 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -166.0 51.24 0.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.661 ' NE ' ' CD1' ' A' ' 191' ' ' TRP . 0.1 OUTLIER -135.88 173.2 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 110.363 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' A' ' 169' ' ' ALA . 0.8 OUTLIER -123.44 159.06 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 134' ' ' ARG . 6.7 ttt180 -149.51 91.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.52 138.81 40.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.927 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -144.73 -179.65 6.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.493 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.2 tp -99.31 -95.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -133.67 58.27 0.69 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.502 1.127 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -143.24 56.15 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -161.12 -102.58 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER 63.34 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 34.58 80.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 115' ' ' HIS . . . 82.22 -123.67 6.17 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 114' ' ' GLY . 23.1 m80 51.23 101.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.99 -31.29 62.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.44 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -69.67 -71.0 1.05 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.9 mt -49.35 -42.37 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.484 ' O ' HG12 ' A' ' 122' ' ' VAL . 5.7 ttt180 -63.17 -48.09 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.0 t -57.62 -30.32 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.955 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.569 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 3.1 t -75.85 -39.78 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.591 HG21 ' CZ ' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -59.39 -45.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.422 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -75.26 -38.74 60.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.689 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.37 -50.46 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.513 ' N ' ' O ' ' A' ' 121' ' ' VAL . 17.7 mt -82.59 -21.62 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.77 9.63 79.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.675 ' OG1' ' CE2' ' A' ' 130' ' ' PHE . 0.7 OUTLIER 62.87 136.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 110.378 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 2.0 tmtt? -164.65 27.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.625 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 16.5 t0 93.78 22.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.675 ' CE2' ' OG1' ' A' ' 127' ' ' THR . 0.2 OUTLIER -54.86 170.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.37 1.044 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.534 ' CD ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.89 161.75 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.647 ' NH2' ' CE1' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -142.65 154.61 44.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 9.2 t -130.24 84.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mpp_? -83.72 161.86 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -112.87 148.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.21 102.15 2.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 96' ' ' ASP . 2.1 pp -126.32 75.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -87.21 158.44 30.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.419 ' CB ' ' CE2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER 177.48 74.92 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 110.32 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.76 3.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.434 1.755 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -73.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -170.88 36.45 0.17 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 70.64 2.41 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 0.802 . . . . 0.0 110.304 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -59.68 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -162.68 98.02 1.1 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.99 -51.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.09 90.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -60.06 -42.63 94.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.45 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 2.0 t80 -76.92 -21.18 55.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.467 ' O ' ' NE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -74.35 -34.29 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.57 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 1.1 mp -110.33 45.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.553 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 1.1 mm-40 -68.42 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.582 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -177.23 45.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.625 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.7 OUTLIER -70.71 26.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.582 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.9 OUTLIER -30.11 -49.6 0.33 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.373 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.3 Cg_endo -74.98 -62.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.509 ' HB1' ' CG ' ' A' ' 154' ' ' PHE . . . -51.09 -46.47 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.711 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.09 -28.43 63.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -58.11 -46.04 86.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.534 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -77.4 -34.36 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.542 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 1.8 tt0 -76.1 -37.11 58.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -53.08 -50.43 82.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.0 -28.79 8.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.534 ' HB ' ' O ' ' A' ' 160' ' ' ALA . 0.4 OUTLIER -61.92 -58.88 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.542 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -69.26 -53.41 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.52 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 55.7 m -44.22 -45.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -66.79 -43.55 83.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.496 ' CB ' ' CD1' ' A' ' 104' ' ' ILE . . . -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.22 -46.56 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -67.75 -42.01 82.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.619 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -60.68 -39.54 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -63.65 -53.12 56.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.1 pt-20 -60.57 -41.87 95.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.417 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.3 tp -69.8 -41.3 75.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 2.7 tt -51.97 -48.42 64.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.22 -24.92 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.88 -48.58 77.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.41 -72.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.301 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -159.31 -169.89 23.2 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -90.65 -11.61 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -54.32 -44.88 99.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.02 -37.41 2.03 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.4 1.737 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.784 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.38 -44.85 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.602 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.5 tt0 -68.49 -35.9 78.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 24.4 t-20 -81.75 -22.1 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.29 -58.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.784 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -62.94 -49.87 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.602 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.1 OUTLIER -75.01 9.05 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -137.64 89.1 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.661 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtp . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.507 0.194 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.15 137.46 46.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.17 68.74 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.588 1.18 . . . . 0.0 110.262 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.44 139.84 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -123.11 139.57 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 12.1 t -132.9 142.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -131.76 116.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.43 107.29 3.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.634 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -92.99 108.58 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.766 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.582 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -139.43 5.22 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.537 ' N ' ' HA ' ' A' ' 23' ' ' ASN . 2.1 t-20 -135.56 126.63 17.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.99 -39.04 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -68.01 -130.53 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.463 ' HA ' ' CB ' ' A' ' 18' ' ' ALA . . . -164.75 -48.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 0.705 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -43.64 -45.69 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.475 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.4 OUTLIER -90.5 -18.63 24.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 15' ' ' ALA . . . -71.27 -25.0 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -52.13 -40.45 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 4.4 t -76.81 25.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.569 ' C ' ' H ' ' A' ' 23' ' ' ASN . 8.8 mmt180 65.9 21.91 11.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' GLY . 8.8 t-160 -68.63 11.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.582 ' HA ' ' CA ' ' A' ' 11' ' ' GLY . 64.6 t30 -125.31 26.75 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.518 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.1 OUTLIER -54.05 -46.53 71.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -47.91 -59.17 6.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.5 t80 -75.05 -25.76 58.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 2.8 t -70.36 -38.96 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -79.07 -51.49 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -55.66 -32.55 63.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 3.3 m-20 -76.31 -56.8 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -46.04 -47.97 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.05 -47.74 76.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.177 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.48 ' CA ' ' HB1' ' A' ' 38' ' ' ALA . . . -60.38 -44.96 95.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.99 78.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -72.84 -49.82 27.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -83.81 19.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 33' ' ' ALA . . . 67.96 -56.86 0.39 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB1' ' CA ' ' A' ' 33' ' ' ALA . . . 68.79 145.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.17 82.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.74 ' CD2' ' CB ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -138.45 -155.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' O ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -154.28 -165.53 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.78 126.06 47.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -59.86 110.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.634 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -41.2 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -46.19 89.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.463 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -73.93 -46.71 42.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.41 60.36 0.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.172 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.521 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.56 166.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 25.8 tp10 -71.9 150.68 43.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.437 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 21.6 m -146.04 114.38 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.74 ' CB ' ' CD2' ' A' ' 40' ' ' PHE . . . -118.13 107.99 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.442 HG23 ' CG2' ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.34 126.4 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.79 -161.08 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.8 131.71 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 57' ' ' GLY . 0.6 OUTLIER -179.3 -166.38 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 36.4 33.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ARG . . . 59.5 54.97 33.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' GLY . 1.4 mmt-85 160.01 158.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.06 170.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 pp -151.36 122.75 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.449 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 24.9 t -105.95 99.13 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.513 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 1.0 OUTLIER -101.51 101.94 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.517 ' C ' ' CE ' ' A' ' 64' ' ' LYS . . . -119.96 176.23 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.517 ' CE ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 179.27 123.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.7 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 -160.24 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 53.1 mmt-85 -77.07 -83.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -47.47 -18.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 108.33 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.7 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 19.9 m-85 59.53 -82.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.477 ' CG ' HD11 ' A' ' 10' ' ' LEU . 1.3 ttm -37.29 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.646 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 47.9 m-20 -70.66 -45.26 65.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.4 OUTLIER -50.46 -37.81 40.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.685 ' N ' ' O ' ' A' ' 68' ' ' TYR . 92.6 p -70.47 -54.21 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.684 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.9 -51.43 4.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.925 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.31 -53.62 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.454 ' NE2' ' HB3' ' A' ' 48' ' ' ALA . 14.7 tp60 -42.19 -49.45 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.7 ' O ' ' N ' ' A' ' 80' ' ' ALA . 20.1 mt -66.99 -46.49 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.04 -67.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.925 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -46.5 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.02 -40.76 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.7 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.86 -49.68 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -17.03 61.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.711 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.1 t80 -75.45 -44.62 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -81.82 -12.44 58.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.0 t 55.08 47.52 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.469 ' CG2' ' OD1' ' A' ' 89' ' ' ASN . 4.5 p -107.48 158.36 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.547 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -80.2 156.51 74.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.658 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.03 -8.89 20.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.27 -16.12 62.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.791 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -108.76 0.17 20.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.6 mm -97.89 123.02 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.439 ' CG2' ' NE2' ' A' ' 131' ' ' GLN . 0.5 OUTLIER -137.43 118.13 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 132' ' ' ARG . 7.8 p -107.57 124.7 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -102.07 144.43 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 109.234 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.634 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 11.2 t-160 -156.5 -178.39 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.555 ' OD2' ' CD2' ' A' ' 97' ' ' LEU . 5.0 p-10 -109.14 141.24 41.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.4 t0 -107.62 95.41 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.555 ' CD2' ' OD2' ' A' ' 95' ' ' ASP . 0.6 OUTLIER -79.08 5.02 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -37.6 45.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.425 ' CB ' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -137.03 92.61 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.674 ' HA ' ' CA ' ' A' ' 137' ' ' ILE . 2.3 tm-20 -81.41 84.53 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 101' ' ' PHE . 1.8 m-85 -107.06 -12.62 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 136' ' ' GLY . . . 79.22 32.29 39.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.526 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.2 tpp180 -124.15 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 0.813 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.484 ' CG2' HD12 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -109.1 160.61 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.36 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -150.0 109.26 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.451 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -121.54 130.26 53.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -149.4 178.04 9.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.546 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -111.32 -55.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.546 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -79.0 -72.31 1.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.24 -93.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . 135.62 60.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 64.43 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 0.774 . . . . 0.0 110.258 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 92.19 50.23 2.66 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 52.19 71.04 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.427 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 25.5 m-70 -155.17 109.22 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.72 -28.56 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -67.04 -56.15 13.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.642 ' O ' HG12 ' A' ' 121' ' ' VAL . 3.5 mt -56.81 -52.43 65.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.6 ttt-85 -59.02 -32.14 69.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 14.8 t -73.47 -27.78 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.684 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.7 -43.15 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.489 ' N ' HG12 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -65.77 -47.23 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -66.82 -37.96 85.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . -75.7 -27.84 58.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.628 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 15.6 mt -85.01 -23.63 28.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.12 3.0 55.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.408 ' O ' ' HB3' ' A' ' 128' ' ' LYS . 0.1 OUTLIER -119.59 -157.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.372 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -177.16 62.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -143.5 14.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.658 ' CD2' ' HB3' ' A' ' 87' ' ' PRO . 39.0 m-85 -86.69 152.15 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.502 ' CA ' HD12 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -101.08 162.81 12.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.46 ' N ' ' HG3' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -143.43 150.12 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 24.4 t -123.44 85.6 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -90.99 144.21 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.526 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 3.6 mp -104.59 147.53 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -89.0 97.34 2.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.674 ' CA ' ' HA ' ' A' ' 100' ' ' GLU . 1.8 pp -147.07 -164.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.466 ' N ' ' HG3' ' A' ' 100' ' ' GLU . . . 110.19 -120.21 5.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.606 ' NE ' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER -161.81 139.7 6.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.417 ' HD3' ' OE1' ' A' ' 100' ' ' GLU . 18.2 Cg_endo -75.05 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 149' ' ' PHE . 18.0 Cg_endo -75.03 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.529 1.804 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 143' ' ' ARG . . . 171.38 86.15 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 142' ' ' GLY . 0.1 OUTLIER 35.27 45.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.725 . . . . 0.0 110.225 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 145' ' ' ASP . 14.1 ttmt -135.39 -111.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.48 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 42.0 m-20 -114.56 103.55 54.86 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.493 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.2 Cg_endo -75.11 -40.28 0.92 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.62 -44.53 64.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -59.08 -40.49 85.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.606 ' CE2' ' NE ' ' A' ' 139' ' ' ARG . 1.3 m-85 -78.63 -24.37 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.493 ' HB ' ' O ' ' A' ' 146' ' ' PRO . 0.5 OUTLIER -66.14 -43.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.43 ' CD2' HG23 ' A' ' 20' ' ' THR . 1.9 mt -112.12 36.98 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -53.93 -89.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.631 ' C ' ' H ' ' A' ' 155' ' ' THR . 15.2 t30 154.03 49.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.681 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -67.56 26.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.631 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -33.57 -47.14 0.64 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.2 Cg_endo -74.99 -62.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.681 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -50.54 -47.52 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.8 mt-10 -70.84 -29.08 65.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.021 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.84 -45.58 86.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.215 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.588 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -75.17 -36.35 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.563 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 3.7 mm-40 -75.49 -36.84 60.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.721 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -51.1 -53.04 52.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.021 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -26.65 10.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 160' ' ' ALA . 0.4 OUTLIER -62.59 -58.31 8.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.563 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.41 -54.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.579 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 68.8 m -42.8 -44.73 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.239 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -66.52 -45.57 79.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -65.85 -45.02 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.459 ' CB ' HD11 ' A' ' 104' ' ' ILE . . . -71.28 -38.4 71.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -55.09 -47.26 75.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -67.57 -41.96 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.622 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -63.92 -52.18 61.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.7 OUTLIER -58.11 -47.8 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -62.78 -36.23 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.562 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 3.5 tt -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 55' ' ' SER . 65.2 mt -65.05 -30.96 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.389 1.056 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -66.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 110.246 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.63 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.562 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.87 -174.9 28.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 19.7 ptp -90.61 -9.94 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 7.7 mm-40 -53.37 -43.74 96.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.01 -36.83 2.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.745 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.66 -45.4 90.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.5 tt0 -68.54 -36.31 78.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.525 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.98 -22.95 36.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.6 ttt180 -100.44 -58.72 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.745 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -64.86 -48.81 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -79.5 17.67 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.66 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -103.41 -42.37 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.59 ' CD1' ' C ' ' A' ' 191' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.499 0.19 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.14 168.72 9.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -166.18 81.94 1.03 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.233 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.509 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.01 140.63 25.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -106.49 136.67 45.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -104.58 143.51 32.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.503 HG12 ' CD1' ' A' ' 91' ' ' ILE . 2.8 m -132.61 141.32 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.494 HG21 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -129.92 123.0 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -98.64 113.17 4.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.631 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -94.48 103.04 15.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.241 -179.899 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.27 -149.47 10.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 22' ' ' HIS . 12.1 t-20 -137.45 117.8 10.5 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -1.66 11.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.51 -138.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.48 -86.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 0.703 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -51.49 -21.88 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.526 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.1 OUTLIER -99.45 -23.37 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.64 -25.34 62.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.442 ' HB3' ' ND2' ' A' ' 153' ' ' ASN . 1.5 tpt180 -68.46 -25.01 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.526 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 6.3 t -72.28 7.22 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.578 ' CD ' ' CG2' ' A' ' 162' ' ' VAL . 0.0 OUTLIER 85.39 11.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -69.55 11.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.568 ' O ' ' N ' ' A' ' 27' ' ' VAL . 5.7 t-20 -124.85 18.73 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD23 ' CB ' ' A' ' 95' ' ' ASP . 1.2 tp -40.0 -46.72 2.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.16 -59.55 8.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -75.32 -20.19 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.568 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.9 t -76.11 -39.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.186 . . . . 0.0 109.251 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG12 ' CD1' ' A' ' 93' ' ' ILE . 4.2 p -80.16 -37.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.486 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -69.18 -35.15 75.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.52 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 11.9 t0 -74.32 -44.56 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -56.73 -51.27 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.17 61.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -78.13 -29.63 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -96.67 -44.46 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -32.97 72.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.55 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 89.25 -3.35 84.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . -42.34 172.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 69.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.177 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.729 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -62.13 -169.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -125.62 176.6 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' O ' ' HB3' ' A' ' 43' ' ' HIS . . . -130.34 140.99 50.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' ALA . 49.2 t60 71.66 -75.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.77 -77.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -149.51 -66.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.504 ' CB ' HD12 ' A' ' 79' ' ' LEU . 13.9 t -50.23 -26.64 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.59 56.64 1.02 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -167.87 176.0 6.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.693 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.3 mm-40 -89.81 149.36 22.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.477 HG13 ' CB ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -146.41 115.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.729 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -106.9 106.6 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.76 122.55 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.73 -162.24 10.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.1 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 1.5 mtt180 -154.02 113.65 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 5.3 m -143.41 -178.41 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.946 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' CB ' ' HB ' ' A' ' 177' ' ' ILE . . . 44.21 25.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.2 50.59 38.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.13 156.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.737 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.501 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.5 m -69.22 163.81 24.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.93 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.6 pp -154.68 121.77 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.491 ' CG1' HD12 ' A' ' 6' ' ' LEU . 77.7 t -109.23 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.486 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -92.46 109.21 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' CB ' HG13 ' A' ' 50' ' ' VAL . . . -120.4 171.09 8.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.01 120.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.636 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.04 -156.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 22.2 mmt85 -83.4 -86.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -45.79 -20.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.75 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.8 m-85 62.92 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.484 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 57.4 ttp -35.76 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -59.2 -42.11 90.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.212 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.75 ' N ' ' O ' ' A' ' 68' ' ' TYR . 36.3 t -69.67 -52.41 26.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.597 1.186 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.681 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -47.81 -52.97 14.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.36 -45.47 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 6.7 tp60 -45.02 -49.22 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.726 ' O ' ' N ' ' A' ' 80' ' ' ALA . 15.8 mm -68.63 -47.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.85 -68.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -74.93 -46.73 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.504 HD12 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.37 -40.46 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.64 -49.39 59.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -16.87 59.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.793 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -77.64 -43.17 32.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.461 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 12.1 m-85 -84.95 -16.71 40.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t 51.27 45.78 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.505 ' CG1' ' N ' ' A' ' 86' ' ' ALA . 84.7 t -101.11 173.51 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.505 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -73.04 123.96 90.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.595 ' CG ' ' HB3' ' A' ' 128' ' ' LYS . 18.3 Cg_endo -75.04 -13.03 21.44 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.27 0.87 15.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.63 ' O ' ' N ' ' A' ' 6' ' ' LEU . 7.2 m-20 -113.28 -11.74 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 13.8 mt -90.71 133.53 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CD1' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -137.28 142.88 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.494 ' CG2' HG21 ' A' ' 8' ' ' VAL . 23.1 t -119.44 127.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.597 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -110.7 142.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.631 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 10.3 t-160 -158.05 176.95 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.546 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -100.37 142.11 32.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 135' ' ' ILE . 8.7 t0 -148.2 150.7 34.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.88 115.01 22.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.37 -84.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.372 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.0 mp -137.45 -70.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.4 tm-20 -86.03 164.49 17.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -94.82 22.48 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.426 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -155.08 54.62 0.42 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.537 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 5.0 tmm_? -134.61 156.33 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.532 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.3 pp -122.3 156.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 134' ' ' ARG . 16.1 ttt180 -146.17 113.15 6.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.1 132.9 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.45 -179.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -112.73 -83.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.48 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -94.05 -81.22 1.51 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.4 140.49 0.25 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.14 -162.06 23.57 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 62.68 81.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.47 -81.61 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.12 67.86 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.37 129.35 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.567 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -37.6 74.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.99 -64.53 3.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.5 mt -53.01 -45.18 67.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.445 ' O ' HG11 ' A' ' 122' ' ' VAL . 6.1 ttt180 -64.74 -34.8 79.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.2 t -64.82 -36.64 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.643 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 5.8 t -74.51 -39.48 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.617 HG21 ' CZ ' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -63.35 -47.42 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.21 -41.66 73.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.681 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -63.69 -46.12 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 130' ' ' PHE . 13.3 mt -79.4 -21.91 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 127' ' ' THR . . . 71.13 12.87 72.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.694 ' HA ' ' CZ ' ' A' ' 130' ' ' PHE . 0.6 OUTLIER 89.13 120.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.398 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.595 ' HB3' ' CG ' ' A' ' 87' ' ' PRO . 23.1 mmtt -152.88 19.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.541 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 1.1 m-20 63.02 23.46 14.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 1.202 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CZ ' ' HA ' ' A' ' 127' ' ' THR . 0.1 OUTLIER -48.36 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -116.26 155.87 27.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.38 147.94 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 18.8 t -140.24 83.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -91.13 144.2 25.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.537 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 2.7 mp -94.29 148.91 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.507 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -99.47 91.53 1.06 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 96' ' ' ASP . 1.8 pp -110.76 77.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -87.73 -112.86 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.128 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.531 ' O ' ' CE1' ' A' ' 149' ' ' PHE . 0.0 OUTLIER 66.69 57.49 0.94 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.552 0.796 . . . . 0.0 110.24 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.527 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.5 Cg_endo -75.01 163.57 35.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -52.2 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 143' ' ' ARG . . . 168.09 44.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 142' ' ' GLY . 0.3 OUTLIER 79.33 6.9 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.504 ' CD ' ' OD2' ' A' ' 145' ' ' ASP . 1.4 ttmt -75.17 -81.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.504 ' OD2' ' CD ' ' A' ' 144' ' ' LYS . 31.3 m-20 -131.89 102.63 14.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.2 Cg_endo -75.01 -40.67 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 110.95 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.46 -45.52 62.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.547 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 1.5 t80 -75.79 -35.13 60.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 146' ' ' PRO . 0.5 OUTLIER -60.22 -33.73 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.452 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 28.4 mt -91.0 30.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.717 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.3 mm-40 -52.92 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.717 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.8 t-20 134.91 46.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.4 OUTLIER -69.99 33.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.626 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -16.28 -52.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.488 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.628 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -75.07 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.618 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -44.85 -36.68 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.7 mt-10 -77.88 -31.51 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -57.86 -44.0 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.455 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -80.48 -33.63 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.607 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 2.9 tp10 -75.62 -34.87 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.224 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -58.1 -51.94 78.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -74.97 -24.63 12.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.607 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -59.89 -57.77 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.518 ' CG1' ' CG2' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -76.86 -45.05 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 31.6 m -48.8 -45.44 40.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.262 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -69.38 -44.95 70.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.619 ' CD ' ' CH2' ' A' ' 191' ' ' TRP . 0.2 OUTLIER -61.88 -41.81 98.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.22 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.63 -42.15 78.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.25 -41.77 72.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -44.89 76.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.513 ' HB1' ' CG2' ' A' ' 188' ' ' VAL . . . -57.75 -42.95 85.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.5 m -64.6 -52.25 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.48 -46.38 83.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.486 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 180' ' ' GLY . 4.4 tt -54.27 -49.86 68.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.401 ' HB ' ' CB ' ' A' ' 56' ' ' ALA . 15.3 mt -73.91 -25.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.85 -29.68 68.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.4 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -162.95 174.59 39.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -88.06 -19.08 27.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -45.73 -49.25 37.49 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.9 -40.2 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.87 -35.76 81.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.47 -41.41 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.547 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 24.1 t-20 -78.34 -20.28 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.464 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.75 -51.93 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.653 ' C ' ' H ' ' A' ' 190' ' ' ALA . 15.7 t -89.36 -57.96 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.3 t-80 -68.46 24.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.634 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.653 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -136.57 66.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CH2' ' CD ' ' A' ' 168' ' ' GLN . 10.6 m95 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.008 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.482 0.182 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.25 127.23 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -176.49 86.19 0.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.0 -174.44 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.539 1.81 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.76 140.76 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ASN . 4.5 tt -106.68 144.74 32.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.53 ' CG1' ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -128.19 140.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.492 HG21 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.66 124.74 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.34 115.29 5.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.558 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -102.01 100.01 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.42 -148.56 7.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' HIS . 3.5 m-20 -134.99 127.5 18.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.89 -152.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.64 -77.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -51.87 -32.31 31.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.578 ' CD1' HD11 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -92.42 -20.51 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -73.07 -39.78 65.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 21' ' ' ARG . 35.3 mmt-85 -42.42 -27.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.425 ' CG2' HD13 ' A' ' 151' ' ' LEU . 14.2 p -77.19 25.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.588 ' C ' ' H ' ' A' ' 23' ' ' ASN . 8.9 mmp_? 66.94 10.68 7.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -62.57 4.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.588 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.9 t-20 -125.75 33.73 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 4.4 mt -62.6 -42.46 99.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -55.44 -47.05 78.43 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.609 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.7 t80 -83.0 -25.24 32.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 17.0 t -76.59 -40.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' CD1' ' A' ' 93' ' ' ILE . 61.5 t -80.04 -36.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -64.68 -44.52 90.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.195 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 26.6 t0 -70.29 -43.24 70.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' HB3' ' O ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -55.15 -51.64 65.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.1 -61.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' HB1' ' CB ' ' A' ' 51' ' ' ALA . . . -59.68 -19.95 52.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -80.1 -28.66 39.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -97.81 -42.53 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 54' ' ' ARG . 0.3 OUTLIER -64.35 -164.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.99 27.61 19.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 33' ' ' ALA . . . -99.47 118.43 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 48.43 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 2.0 t80 -79.62 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.588 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER 157.59 -160.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -108.21 151.09 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.57 169.67 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -66.09 -149.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.6 mtp85 -34.2 149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.483 ' CB ' HD23 ' A' ' 79' ' ' LEU . 15.8 m 35.84 30.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -115.85 -69.81 0.45 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.529 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 46.72 -172.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.609 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -71.69 135.67 46.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.612 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -154.18 158.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.63 1.206 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' HA ' ' HB3' ' A' ' 40' ' ' PHE . . . -164.21 109.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.435 ' CG2' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -93.96 126.81 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 -162.85 9.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mtp-105 -154.54 131.13 10.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.226 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 60' ' ' LEU . 5.7 p -163.43 -178.12 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' HB2' ' CA ' ' A' ' 174' ' ' GLU . . . 41.46 27.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.33 52.17 42.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.596 1.185 . . . . 0.0 111.013 -179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' SER . 2.1 mmt-85 178.37 154.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.457 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 3.2 m -77.24 162.68 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 55' ' ' SER . 3.6 pp -149.15 126.99 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.48 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 14.5 t -107.33 106.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -99.26 127.0 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.211 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.486 ' CB ' HG22 ' A' ' 50' ' ' VAL . . . -143.28 162.72 34.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 177.66 122.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.777 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.08 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 12.3 mmt85 -78.2 -81.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -46.96 -22.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 108.265 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.889 ' O ' ' N ' ' A' ' 72' ' ' SER . 26.2 m-85 60.95 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.517 ' C ' ' O ' ' A' ' 68' ' ' TYR . 4.0 ttt -28.29 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -71.88 -48.88 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -51.34 -35.56 38.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.889 ' N ' ' O ' ' A' ' 68' ' ' TYR . 84.4 p -70.59 -56.49 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.056 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.547 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -42.33 -48.84 5.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.881 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.81 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.573 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.2 tp60 -38.9 -50.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 18.8 mt -66.02 -43.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.35 -70.58 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.881 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.03 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.22 -40.22 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.741 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.06 -50.89 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -15.92 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.687 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -76.1 -44.27 39.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -82.26 -12.15 58.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.2 t 58.14 54.62 5.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 110.048 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 86' ' ' ALA . 46.1 t -104.87 167.95 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -88.64 154.16 50.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -24.73 12.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.63 1.7 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.6 m-20 -111.61 -24.32 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.454 HD11 ' CG2' ' A' ' 76' ' ' ILE . 1.3 tt -88.98 135.81 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.53 ' CG1' ' CG1' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -136.63 141.0 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.551 ' O ' ' N ' ' A' ' 133' ' ' VAL . 24.9 t -117.88 130.68 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.536 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 2.1 pt -110.36 148.02 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.363 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.558 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 6.5 t-160 -155.4 170.78 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.503 ' OD1' ' C ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -98.64 146.06 26.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.644 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.06 157.99 32.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.951 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.595 ' CD1' ' O ' ' A' ' 139' ' ' ARG . 1.0 OUTLIER -99.16 101.4 12.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 138' ' ' GLY . 85.7 m-20 -88.72 -74.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -135.47 -79.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.2 tm-20 -92.19 170.75 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.618 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -91.94 70.83 5.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.581 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 161.67 48.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.488 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -136.52 163.15 31.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.465 0.744 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 0.8 OUTLIER -122.14 165.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.51 103.56 3.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.28 140.3 37.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -159.1 173.07 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -108.18 -54.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -82.27 -67.53 1.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 62.39 -143.47 48.67 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -99.14 -63.87 0.84 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.5 tt0 68.24 -63.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 0.735 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . -36.38 -65.29 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.8 -45.34 93.61 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.409 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -61.25 122.61 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.541 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -45.76 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.41 -61.38 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.37 -46.89 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 109.261 -179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.6 ttt180 -58.81 -35.31 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -69.15 -35.11 76.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.547 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 27.2 t -65.92 -44.11 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.525 ' CG1' ' O ' ' A' ' 127' ' ' THR . 38.5 t -71.13 -30.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.84 -39.5 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -72.74 -44.5 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.689 ' CD1' ' CE1' ' A' ' 130' ' ' PHE . 13.3 mt -79.74 -24.31 41.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 64.93 5.93 21.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.409 1.068 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.564 ' HB ' ' CZ ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -98.39 -152.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.411 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -179.6 49.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.57 -0.85 3.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.689 ' CE1' ' CD1' ' A' ' 125' ' ' LEU . 0.5 OUTLIER -66.63 156.03 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -100.53 159.79 14.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.0 mtt-85 -133.34 149.99 51.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.234 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.551 ' N ' ' O ' ' A' ' 92' ' ' VAL . 2.3 t -144.14 81.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.607 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.9 mtp180 -86.43 145.19 26.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.548 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.4 mt -96.36 150.58 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.485 ' N ' HG23 ' A' ' 135' ' ' ILE . . . -109.79 102.52 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.644 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.7 pp -119.45 82.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . 104.47 171.87 24.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.595 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -72.96 170.59 13.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.329 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 98' ' ' ASP . 18.2 Cg_endo -75.06 174.18 13.24 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.582 1.833 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.43 ' HB3' ' CB ' ' A' ' 146' ' ' PRO . 18.4 Cg_endo -74.94 158.75 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.421 1.748 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -178.67 -44.56 0.07 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.728 ' O ' ' N ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -173.44 -149.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 0.728 . . . . 0.0 110.237 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 145' ' ' ASP . 1.4 ttmt 54.46 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.728 ' N ' ' O ' ' A' ' 143' ' ' ARG . 19.4 p30 167.25 94.16 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.43 ' CB ' ' HB3' ' A' ' 141' ' ' PRO . 18.5 Cg_endo -74.91 -52.79 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.26 78.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -26.18 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.445 ' CG1' HD22 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -81.71 -30.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.578 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.8 mm? -97.9 39.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.726 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 39.4 tt0 -61.35 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.726 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 18.6 t30 132.4 45.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.664 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -72.67 28.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.605 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.99 -52.51 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.531 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.96 -72.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.664 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.86 11.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.4 mm-40 -75.17 -30.42 60.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.999 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.467 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -76.36 -34.9 58.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.593 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 4.1 mm-40 -76.23 -37.46 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.0 t -51.67 -49.36 83.51 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.999 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.7 Cg_endo -74.94 -30.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.479 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 42.7 m -62.73 -59.04 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.593 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.5 -53.27 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 50.9 m -44.9 -49.36 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 108.267 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.95 -47.02 84.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 188' ' ' VAL . 11.1 mm100 -61.36 -47.36 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.91 -44.66 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.1 -47.21 68.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.569 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.8 -44.97 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -60.66 -50.68 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.437 ' CA ' ' HB2' ' A' ' 56' ' ' ALA . 2.2 pt-20 -62.83 -40.19 96.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -44.92 79.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 181' ' ' MET . 7.4 tp -52.16 -53.8 38.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.28 -26.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 179' ' ' GLN . 1.2 tt0 -57.14 -63.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 178' ' ' GLU . 2.6 mt-30 157.92 28.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.19 125.18 1.73 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.47 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 0.0 OUTLIER -117.17 -28.64 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 0.709 . . . . 0.0 111.042 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.5 mt-10 -68.72 -37.73 10.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.96 -39.27 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.84 -38.26 90.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -70.87 -39.86 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.531 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 31.5 m-20 -82.11 -21.87 36.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -91.16 -53.51 4.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.595 ' C ' ' H ' ' A' ' 190' ' ' ALA . 50.4 t -86.44 -55.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -72.6 22.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.595 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -84.32 -50.35 7.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.581 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.2 p-90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 107.963 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.488 0.185 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.84 147.58 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 3.0 pt-20 -178.64 76.82 0.21 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.59 8.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -133.39 138.37 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.693 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -114.25 140.69 48.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 t -130.44 144.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.498 ' CG2' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.44 121.27 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.02 118.23 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -94.73 108.34 20.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' HA3' ' OD1' ' A' ' 23' ' ' ASN . . . -124.54 -157.21 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.599 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 1.3 m120 -133.72 120.46 15.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.04 -12.0 21.42 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -57.87 -121.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.418 1.074 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.75 -74.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 0.83 . . . . 0.0 109.235 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.2 -38.62 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.475 ' O ' ' CB ' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -89.05 -21.89 23.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.58 67.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -54.42 -27.68 38.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 1.6 t -75.71 19.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.47 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.587 ' C ' ' H ' ' A' ' 23' ' ' ASN . 1.8 mtt180 76.81 5.65 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.599 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 13.4 t-160 -64.56 5.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.569 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.587 ' H ' ' C ' ' A' ' 21' ' ' ARG . 32.9 t30 -122.65 23.02 9.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.491 ' HB3' ' CD1' ' A' ' 135' ' ' ILE . 3.3 mt -47.87 -43.13 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.422 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -51.14 -59.41 8.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.408 1.067 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 24.6 t80 -76.78 -23.62 52.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -72.25 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 t -77.07 -54.77 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.506 ' CB ' ' CD1' ' A' ' 62' ' ' LEU . . . -54.19 -36.07 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.1 m-20 -68.65 -53.38 22.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.37 -53.18 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.892 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -59.45 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.488 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -62.56 -24.63 67.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.95 -32.43 57.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.59 -43.47 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.31 19.42 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 36.36 29.76 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -38.71 149.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 0.714 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 40.38 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.643 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -62.71 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.45 -164.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.07 146.94 9.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -129.25 -170.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.07 -173.23 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 46' ' ' SER . 9.4 ttm180 51.55 -100.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.484 ' CB ' HD22 ' A' ' 79' ' ' LEU . 65.7 m -110.02 28.89 8.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -98.28 -66.33 0.88 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 42' ' ' ALA . . . 49.3 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 63' ' ' ALA . 2.6 mm-40 -71.16 145.45 49.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -162.77 133.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.643 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -137.75 117.48 13.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.26 125.96 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -119.41 99.27 0.75 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.561 1.163 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG3' ' OG ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -113.93 110.45 20.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 166.86 -168.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.9 21.9 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.22 42.37 57.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.599 1.187 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.0 OUTLIER 173.86 159.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 2.4 t -107.84 169.64 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.9 pp -163.1 124.64 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 6' ' ' LEU . 35.0 t -103.44 94.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.506 ' CD1' ' CB ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -93.12 118.8 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . -141.26 177.39 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 174.75 131.73 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.693 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.97 -155.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.9 mmt180 -83.95 -84.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -45.11 -21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.297 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.815 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 m-85 61.28 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' TYR . 31.0 ttm -29.71 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -70.28 -33.64 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -58.89 -34.88 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 68' ' ' TYR . 22.9 t -77.51 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.57 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -40.0 -52.53 3.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.953 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.31 -47.22 44.44 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 0.746 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.8 tt0 -43.14 -51.18 6.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.74 ' O ' ' N ' ' A' ' 80' ' ' ALA . 20.5 mt -67.31 -45.8 85.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.14 -69.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.953 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.93 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.576 ' N ' HD21 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -52.32 -40.19 61.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.74 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.89 -51.11 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -73.07 -16.33 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.55 -45.08 40.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.418 ' CD1' ' HD1' ' A' ' 82' ' ' PHE . 17.3 m-85 -88.16 -1.42 58.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.3 t 54.87 46.06 25.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.504 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 79.6 t -105.01 146.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.513 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.18 154.54 69.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HG3' ' CG2' ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.12 -12.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -15.7 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.693 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.4 p30 -110.06 -12.81 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.4 HG13 ' OD1' ' A' ' 89' ' ' ASN . 90.4 mt -86.34 130.4 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.426 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -137.85 118.88 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.498 HG23 ' CG2' ' A' ' 8' ' ' VAL . 11.4 t -103.21 134.41 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -114.43 143.83 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -158.35 177.33 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.625 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.457 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -98.3 142.8 29.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 135' ' ' ILE . 9.2 t0 -148.78 174.07 12.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.478 ' CD2' ' HD3' ' A' ' 139' ' ' ARG . 0.8 OUTLIER -103.28 106.29 16.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.83 -65.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.401 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 2.3 mp -124.43 -120.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.507 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -87.16 -169.67 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -91.85 50.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -174.2 42.44 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.523 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.23 156.99 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 0.813 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.48 HG21 ' CD1' ' A' ' 165' ' ' ILE . 0.9 OUTLIER -115.33 164.5 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 134' ' ' ARG . 12.0 tpt180 -149.81 97.62 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.482 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.36 130.52 52.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -152.46 -178.75 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.522 ' CD1' ' O ' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -131.8 -87.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.489 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -42.1 -82.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.83 -120.09 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.9 49.82 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 44.47 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.51 143.42 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -45.43 97.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.67 125.13 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.73 . . . . 0.0 109.549 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -56.8 -26.01 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.86 -62.29 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.432 1.082 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -42.37 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.493 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -61.23 -33.68 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -75.36 -30.74 60.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.514 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 48.0 t -71.58 -43.12 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.04 -43.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.402 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -71.42 -37.25 71.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -71.91 -47.89 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.612 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 31.1 mt -77.62 -23.12 49.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.68 2.04 48.69 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.528 ' O ' ' CG2' ' A' ' 122' ' ' VAL . 13.5 t -126.71 177.53 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.617 0.834 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.526 ' CD ' ' C ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -142.42 18.59 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 9.22 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 2.1 p90 -86.73 164.09 16.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.417 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 30.2 mt-30 -100.57 156.83 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.417 ' HG3' ' C ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -134.31 147.78 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 19.7 t -133.1 81.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -86.53 144.04 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 96' ' ' ASP . 1.5 mt -96.86 136.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -90.34 104.08 3.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 3.1 pt -105.89 154.96 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . -28.81 -96.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.478 ' HD3' ' CD2' ' A' ' 97' ' ' LEU . 45.9 ttt180 34.0 83.41 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.224 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 147.65 34.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 53.79 3.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.051 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -112.87 -178.64 19.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -104.31 1.51 30.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.507 ' CE ' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -60.71 -53.37 58.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.507 ' OD1' ' CE ' ' A' ' 144' ' ' LYS . 0.8 OUTLIER 158.25 81.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -55.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.65 -44.58 81.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.13 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.421 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 3.2 t80 -72.41 -30.53 64.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.489 ' CG2' ' CD1' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -72.3 -34.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.451 HD22 ' CG1' ' A' ' 150' ' ' VAL . 39.4 mt -92.47 28.38 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.616 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.2 mm-40 -65.72 -104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.616 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 2.7 t-20 145.56 49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.673 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.09 29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.606 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -22.75 -51.73 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.6 1.187 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.507 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.92 -68.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.673 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -48.15 -40.43 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.646 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -75.01 -30.91 61.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.2 -43.67 87.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.429 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -79.44 -34.19 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.612 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 10.1 mm-40 -74.72 -36.03 62.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.646 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -56.61 -52.15 75.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.91 -24.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.612 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.9 m -66.23 -61.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.561 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.05 -53.66 31.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.518 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 68.5 m -45.69 -47.6 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.178 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -57.9 -47.44 82.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 188' ' ' VAL . 1.1 tp-100 -64.53 -48.27 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 104' ' ' ILE . . . -65.78 -36.18 82.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -59.1 -42.52 90.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.79 -44.85 84.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.557 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -61.37 -37.52 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 5.2 m -62.89 -51.32 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.77 -47.62 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.81 -35.68 81.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.5 tt -55.35 -52.18 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 26.5 mt -72.33 -23.79 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.6 -41.83 83.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.082 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.19 -71.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.42 176.35 35.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 8.6 ptp -90.48 -16.31 29.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 6.2 mt-10 -50.49 -46.33 84.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.02 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.606 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.42 -39.01 91.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.507 ' HG3' ' CG ' ' A' ' 189' ' ' HIS . 4.8 tt0 -70.7 -39.2 73.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.523 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.3 t-20 -81.3 -19.62 42.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 1.3 ttt-85 -95.16 -53.03 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.606 ' N ' ' O ' ' A' ' 184' ' ' ALA . 75.8 t -88.11 -57.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.507 ' CG ' ' HG3' ' A' ' 185' ' ' GLN . 26.7 m80 -71.82 21.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.6 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -84.54 -41.69 16.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.455 ' C ' ' NH2' ' A' ' 103' ' ' ARG . 1.4 p-90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.56 0.219 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.2 32.84 4.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.32 136.09 10.67 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.14 137.64 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.662 ' N ' ' O ' ' A' ' 89' ' ' ASN . 7.7 tt -106.59 149.24 27.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 91' ' ' ILE . 15.6 m -132.38 141.06 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -128.38 124.64 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.71 110.18 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.528 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -97.05 97.01 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.71 -143.16 6.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.155 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.459 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 2.3 t30 -135.24 127.37 17.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.3 Cg_endo -75.04 139.1 23.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' ALA . . . 74.73 162.26 9.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.425 1.078 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.492 ' O ' ' CB ' ' A' ' 18' ' ' ALA . . . -39.55 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 m120 37.86 -139.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.505 ' HB3' ' CD1' ' A' ' 151' ' ' LEU . 2.3 m-85 -69.12 -14.85 63.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 15' ' ' ALA . . . -48.15 -24.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 17' ' ' TYR . 3.3 tpt180 -68.39 -45.91 71.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.708 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 44.3 p -67.95 -2.42 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.708 ' CB ' ' O ' ' A' ' 20' ' ' THR . 3.3 tpp180 104.12 13.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -71.28 14.57 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.459 1.099 . . . . 0.0 109.655 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.565 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.4 t-20 -123.17 12.7 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD2' HG22 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -39.72 -45.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -47.01 -56.68 7.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 59.4 t80 -83.95 -23.13 31.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -70.47 -45.18 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG22 ' CD2' ' A' ' 24' ' ' LEU . 1.8 t -79.79 -45.96 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . . . -57.5 -35.69 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' ALA . 29.1 t0 -73.92 -53.38 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.506 ' CD2' ' SG ' ' A' ' 166' ' ' CYS . 0.2 OUTLIER -55.66 -48.28 75.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.85 -59.25 5.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -61.11 -19.04 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.72 -29.26 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.48 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.63 -42.27 10.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.344 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -53.7 -19.42 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.88 -14.83 60.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 33' ' ' ALA . . . -64.47 146.2 54.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.19 49.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' HB3' ' O ' ' A' ' 50' ' ' VAL . 1.7 t80 -61.07 -118.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 175.93 -161.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.602 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -127.36 150.7 49.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ALA . 22.9 m-70 -121.87 152.59 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.572 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -173.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.4 ttp180 37.41 -144.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.511 ' CB ' HD22 ' A' ' 79' ' ' LEU . 2.5 p -67.58 56.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -128.99 -52.35 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 45.58 -171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.602 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 12.8 tp10 -70.07 147.24 50.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 71.7 t -156.68 152.4 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.526 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -163.75 106.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -86.19 147.99 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.6 -165.84 12.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.98 130.62 13.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 0.822 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -175.91 179.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 174' ' ' GLU . . . 44.77 25.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 66.8 41.89 93.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' SER . 5.4 tpm_? -175.4 154.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.89 164.61 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.4 OUTLIER -139.92 128.05 22.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.198 -179.917 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 94.1 t -107.97 96.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.554 ' CD1' ' HB2' ' A' ' 29' ' ' ALA . 2.1 tm? -94.3 121.81 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' CB ' HG23 ' A' ' 50' ' ' VAL . . . -142.25 167.64 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HE3' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -176.55 126.2 0.32 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 -179.919 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.627 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 -155.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.2 mmt180 -80.55 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -48.43 -16.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 108.342 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.68 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.0 m-85 60.69 -82.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 68' ' ' TYR . 24.5 ttm -37.71 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.666 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 10.4 t-20 -59.54 -42.92 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' HA ' ' HD3' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -50.45 -42.42 54.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 39.8 t -65.59 -51.51 59.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.608 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.77 -51.46 6.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.928 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.45 -54.48 6.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.57 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -43.0 -49.28 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -66.53 -44.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.0 -69.57 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.928 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.96 -47.19 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.571 ' N ' ' CD2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -53.49 -41.21 66.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.779 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.14 -50.16 62.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.73 61.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.3 t80 -73.42 -43.34 60.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -78.95 1.5 23.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 p 52.14 46.96 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.45 HG11 ' N ' ' A' ' 86' ' ' ALA . 79.3 t -127.21 151.18 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' OD1' ' A' ' 89' ' ' ASN . . . -83.01 157.98 65.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.558 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.96 -9.11 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.434 1.754 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -19.39 57.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -102.94 -17.73 15.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.2 mt -86.05 134.92 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.503 ' CD1' HG11 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -136.97 123.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.6 p -102.03 137.0 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.558 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -114.62 147.08 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.508 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 7.6 t-160 -153.64 167.05 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.482 ' CB ' HD13 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -91.79 142.1 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -154.12 167.41 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.447 ' HG ' ' CD1' ' A' ' 137' ' ' ILE . 1.4 mp -99.0 133.03 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 138' ' ' GLY . 11.5 t0 -126.63 -85.49 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.415 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -136.44 -74.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -88.99 166.2 14.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.74 55.46 2.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 175.94 49.01 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.493 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -134.07 163.09 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 0.726 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.514 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.3 pp -123.06 165.96 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.8 mmt180 -147.77 106.49 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.8 139.08 41.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 165.71 34.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -105.21 -54.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.499 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -85.87 -95.33 0.79 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.429 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . 75.7 -85.58 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.66 119.25 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -38.85 -55.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 53.68 -129.38 41.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . -79.48 62.96 4.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 114' ' ' GLY . 61.7 m-70 -147.73 106.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.584 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.07 -37.34 78.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.86 -65.92 3.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 122' ' ' VAL . 8.5 mt -53.11 -50.15 65.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -57.68 -34.7 69.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 3.5 m -70.19 -30.62 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.51 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 15.4 t -71.07 -42.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.54 HG22 ' CE1' ' A' ' 130' ' ' PHE . 10.3 t -70.06 -33.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.5 -37.85 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.79 -47.43 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.497 ' CD2' ' HB2' ' A' ' 80' ' ' ALA . 15.1 mt -81.24 -23.52 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 68.33 4.69 38.51 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' ' 122' ' ' VAL . 0.1 OUTLIER -118.0 176.11 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER -143.03 62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -131.13 18.25 4.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.558 ' HA ' ' O ' ' A' ' 87' ' ' PRO . 30.9 p90 -90.99 172.18 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -115.7 159.11 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.429 ' NH1' ' HA3' ' A' ' 110' ' ' GLY . 0.3 OUTLIER -130.67 147.75 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 8.2 t -140.26 81.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -87.71 145.19 26.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 96' ' ' ASP . 3.5 mp -96.99 149.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.5 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -108.87 95.4 0.91 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.605 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -105.52 101.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . 63.98 169.69 1.67 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.558 1.161 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -107.77 139.71 20.88 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.568 0.804 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -169.55 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -97.69 -105.35 2.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -81.62 50.15 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -120.78 -75.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.467 ' CB ' ' O ' ' A' ' 144' ' ' LYS . 1.3 m-20 158.64 94.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -59.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.424 1.75 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.412 ' O ' HD21 ' A' ' 151' ' ' LEU . . . -57.37 -45.92 83.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.73 -36.53 72.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.0 t80 -75.8 -25.39 56.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.489 ' CG2' HD13 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -77.02 -29.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.505 ' CD1' ' HB3' ' A' ' 17' ' ' TYR . 4.5 mm? -90.36 44.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.8 mm-40 -67.75 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 7.7 t-20 145.64 45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -76.77 27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.563 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.26 -52.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.3 Cg_endo -75.01 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.603 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -41.78 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.346 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.675 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.2 mt-10 -74.96 -29.55 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.992 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.23 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.441 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -75.87 -35.47 59.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.577 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 3.9 tp10 -77.76 -37.48 48.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.675 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -50.78 -49.29 80.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.992 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -36.89 2.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.6 m -51.95 -53.48 40.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.577 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -76.73 -47.37 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.61 ' O ' ' N ' ' A' ' 170' ' ' ALA . 53.8 t -48.64 -54.51 14.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.668 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 1.1 mm-40 -58.63 -52.97 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.235 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -48.91 79.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -70.8 -29.71 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.94 -47.42 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.22 -43.81 69.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -64.1 -41.65 97.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.9 m -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -56.45 -45.21 80.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.476 ' HA ' ' CB ' ' A' ' 178' ' ' GLU . 0.6 OUTLIER -68.43 -39.66 81.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.517 ' HG ' ' CB ' ' A' ' 181' ' ' MET . 3.1 tt -50.59 -47.77 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.445 ' HB ' ' CB ' ' A' ' 56' ' ' ALA . 72.6 mt -81.56 -21.25 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.476 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 8.4 tm-20 -58.07 -49.2 77.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -139.13 -72.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -142.88 168.23 26.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.517 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 15.8 ptp -90.67 -9.48 46.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 0.808 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.551 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -46.72 -48.51 49.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.582 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -75.01 -37.14 2.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.719 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.88 -43.25 93.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -68.52 -38.31 80.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.97 -24.47 35.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.97 -56.38 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.719 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -71.73 -50.73 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -79.86 16.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -77.49 -54.82 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.539 ' CH2' ' HA ' ' A' ' 188' ' ' VAL . 31.1 p90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.01 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.532 0.206 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.77 102.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.434 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 1.4 pt-20 179.92 96.44 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.19 31.89 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.603 1.844 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.0 mt -135.74 136.55 40.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.701 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.2 tt -122.35 139.11 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.223 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.52 ' CG1' ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.9 139.41 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -132.66 122.27 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.02 110.95 3.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.546 ' CD1' ' C ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -96.27 105.26 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.265 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -133.58 -137.92 3.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.492 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -134.26 130.92 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.99 75.98 3.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . 60.07 139.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 164.0 136.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -54.17 -37.6 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 151' ' ' LEU . 7.6 t80 -84.15 -18.47 36.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -71.34 -38.5 71.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' ' C ' ' A' ' 20' ' ' THR . 17.4 mmt85 -46.58 -49.61 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.759 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 71.2 p -27.8 -43.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.759 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 160.89 -9.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -54.16 -3.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.618 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.1 t-20 -117.11 37.74 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -66.95 -52.19 46.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.542 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -48.0 -55.42 10.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 5.2 t80 -71.53 -26.99 62.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.58 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 1.8 t -65.81 -41.43 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.4 ' HB ' HD12 ' A' ' 93' ' ' ILE . 61.0 t -72.35 -52.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 62' ' ' LEU . . . -57.69 -45.93 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 12.8 t70 -60.83 -40.93 94.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -60.81 -62.1 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 2.9 mt -51.73 -33.71 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.454 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -81.62 -24.99 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -93.12 -0.62 56.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -117.99 -40.96 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.354 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.538 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -81.37 -15.36 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.89 1.57 79.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.541 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -29.82 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.62 37.89 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.715 ' CD2' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -58.83 -153.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 -162.1 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.64 146.34 13.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ALA . 3.0 t-80 -132.91 171.84 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.48 -166.7 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 37.75 -144.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.496 ' CB ' HD21 ' A' ' 79' ' ' LEU . 60.3 m -70.24 51.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -126.63 -62.17 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 47' ' ' GLY . . . 45.59 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 63' ' ' ALA . 2.0 mt-10 -67.26 139.87 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -151.15 135.68 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.715 ' HB1' ' CD2' ' A' ' 40' ' ' PHE . . . -142.43 124.48 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 124.86 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.84 93.65 0.62 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.4 OUTLIER -114.08 109.16 18.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 165.45 -177.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 61.13 23.34 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.46 31.02 78.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -167.92 159.51 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -107.13 162.63 13.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.945 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.99 127.49 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.386 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.562 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 4.6 t -98.35 111.51 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 51' ' ' ALA . 1.1 tm? -102.5 110.79 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . -140.01 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.558 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.15 129.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.644 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.5 Cg_endo -74.92 -156.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.6 mmt180 -86.52 -83.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -46.84 -19.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.754 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.0 m-85 60.01 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -38.06 -79.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.98 -35.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.591 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -58.98 -38.83 80.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.754 ' N ' ' O ' ' A' ' 68' ' ' TYR . 24.3 t -73.06 -51.65 17.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.52 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -47.54 -50.12 19.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.57 -47.58 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.591 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -45.29 -50.61 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 80' ' ' ALA . 50.9 mt -68.09 -45.25 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.61 -69.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.424 1.75 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -53.78 -40.16 66.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.762 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.2 -49.85 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -14.71 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.719 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.5 t80 -77.48 -42.23 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -79.15 -15.42 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.5 p 46.1 42.98 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.12 -179.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.5 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -75.86 120.63 82.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.95 6.04 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.3 -1.11 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.701 ' O ' ' N ' ' A' ' 6' ' ' LEU . 13.9 p30 -109.0 -13.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.568 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 8.5 mt -86.71 128.54 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.52 ' CG1' ' CG1' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -137.93 137.25 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 12.2 p -114.93 132.18 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.542 ' CD1' ' HA2' ' A' ' 25' ' ' GLY . 1.1 pt -108.3 145.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.515 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 6.9 t-160 -152.53 -176.91 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -106.15 146.28 30.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.2 t70 -151.6 160.84 43.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.462 ' CD2' HG21 ' A' ' 150' ' ' VAL . 1.2 pt? -105.05 108.31 19.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.99 -81.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.417 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 7.5 mp -117.77 -101.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 138' ' ' GLY . 8.8 mp0 -88.23 175.92 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.599 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 1.1 m-85 -91.47 81.58 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.407 ' HA2' HG23 ' A' ' 165' ' ' ILE . . . 162.2 38.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.517 ' CD ' ' O ' ' A' ' 104' ' ' ILE . 3.5 tmm_? -136.73 158.83 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.521 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.5 pp -119.7 152.03 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -138.57 100.27 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.493 ' O ' ' CD1' ' A' ' 106' ' ' LEU . 0.2 OUTLIER -107.02 149.47 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -155.94 -172.07 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.549 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.6 tp -124.61 -85.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.549 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -68.83 -114.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 111' ' ' GLY . . . 37.3 94.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 110' ' ' GLY . . . -33.79 146.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.409 ' OE1' ' C ' ' A' ' 112' ' ' GLU . 1.8 pp20? -38.41 146.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.06 -53.94 20.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.92 50.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.448 ' CD2' HD11 ' A' ' 118' ' ' LEU . 11.9 m-70 -129.89 138.99 51.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 0.775 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 120' ' ' SER . 97.9 m-20 -63.41 -26.39 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.37 -65.12 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.448 HD11 ' CD2' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.16 -48.45 80.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.417 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -58.05 -38.22 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 19.7 m -69.75 -30.09 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.52 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.5 t -67.41 -45.95 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 14.8 t -73.18 -26.04 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.57 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.23 -45.61 22.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.721 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 13.4 mt -78.94 -22.29 45.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 73.31 9.17 76.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER 82.6 159.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 8.7 mmtt 159.0 -11.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 2.2 p30 151.26 -106.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.721 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 13.8 m-85 62.65 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.48 ' HG3' ' CD1' ' A' ' 108' ' ' ILE . 41.8 mt-30 -113.06 159.23 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' A' ' 131' ' ' GLN . 5.1 mmt180 -134.38 148.05 50.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 4.2 t -136.51 83.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.1 mtt180 -88.89 161.11 16.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.58 ' O ' ' N ' ' A' ' 96' ' ' ASP . 3.3 mp -112.07 154.3 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -106.44 94.92 0.99 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.604 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.48 99.17 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.417 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 59.4 171.89 0.48 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.15 161.64 60.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.4 10.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.399 1.736 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -165.35 -148.58 5.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.6 mmt-85 -83.17 51.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 110.261 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.4 -75.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -168.15 92.88 0.63 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -75.11 -57.98 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.432 1.754 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 150' ' ' VAL . . . -56.71 -40.67 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.424 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -61.4 -43.14 99.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.411 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 8.2 t80 -77.07 -21.1 54.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.496 HG11 ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -74.77 -36.72 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.219 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.466 HD11 ' CG1' ' A' ' 150' ' ' VAL . 1.3 mt -116.5 52.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.411 ' CG ' ' HA ' ' A' ' 149' ' ' PHE . 0.7 OUTLIER -63.9 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.547 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.2 t30 163.18 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.602 1.189 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.612 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -72.99 29.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.579 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.08 -52.75 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.5 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.99 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.582 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -47.52 -40.24 18.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.612 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -74.45 -31.94 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.32 -42.46 91.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.516 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -78.24 -34.76 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.391 1.057 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.588 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 57.7 mm-40 -75.19 -35.98 61.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -55.26 -52.39 71.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -25.69 11.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.588 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.8 m -59.62 -58.45 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.523 ' CD1' ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -74.69 -45.24 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.523 ' N ' ' CD1' ' A' ' 165' ' ' ILE . 16.5 m -47.65 -46.71 29.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.75 -44.53 77.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 188' ' ' VAL . 1.7 tp60 -63.25 -47.42 82.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.2 -40.96 90.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.81 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -68.24 -45.01 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.571 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -57.54 -43.32 84.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.22 -52.56 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.59 -45.59 85.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.491 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.31 -36.68 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.0 tt -54.65 -52.06 63.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.6 mt -73.47 -23.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -41.63 84.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.63 -71.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.96 175.7 35.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.451 ' CE ' HD23 ' A' ' 106' ' ' LEU . 21.5 ttt -89.59 -20.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.3 mt-10 -46.71 -47.99 50.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -40.13 96.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -72.6 -39.23 67.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.559 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 13.5 m-20 -79.43 -19.79 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 183' ' ' PRO . 4.9 ttt180 -97.72 -52.84 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.624 ' C ' ' H ' ' A' ' 190' ' ' ALA . 18.1 t -87.91 -57.96 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.6 ' HA ' ' CZ3' ' A' ' 191' ' ' TRP . 9.6 t-80 -68.96 23.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.624 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -137.84 60.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.6 ' CZ3' ' HA ' ' A' ' 189' ' ' HIS . 20.3 m-90 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.458 0.17 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.65 93.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.36 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -179.34 88.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.12 160.33 39.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 1.6 mt -135.81 144.41 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -112.18 139.51 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.555 ' CG1' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -121.9 140.83 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.15 121.69 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.466 ' HA2' HG21 ' A' ' 93' ' ' ILE . . . -96.09 110.14 3.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.576 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -94.49 108.52 20.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.538 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -130.43 -141.61 4.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.069 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 22' ' ' HIS . 23.5 t-20 -138.99 129.38 14.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.641 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -75.13 -20.64 16.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.69 -144.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 19' ' ' ARG . . . -158.12 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' ALA . 7.6 m-80 -37.67 -57.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.555 ' CD2' HD22 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -84.48 -18.34 36.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB2' ' N ' ' A' ' 15' ' ' ALA . . . -72.06 -29.24 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.5 tpt85 -62.91 -58.13 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 81.8 p -28.91 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.662 ' CB ' ' O ' ' A' ' 20' ' ' THR . 0.3 OUTLIER 142.73 3.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.4 t-160 -67.23 9.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.577 ' H ' ' C ' ' A' ' 21' ' ' ARG . 63.5 t30 -130.12 34.77 4.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' CD1' HD12 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -61.46 -48.12 82.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.557 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -51.23 -54.43 23.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CB ' ' OD1' ' A' ' 23' ' ' ASN . 0.7 OUTLIER -73.38 -26.44 61.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.753 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 3.9 t -72.9 -40.56 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -75.64 -50.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -56.76 -36.38 69.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.7 m-20 -68.2 -51.52 44.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.525 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -45.97 -56.35 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.23 -179.945 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.77 -47.02 77.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.307 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' CB ' ' HB1' ' A' ' 38' ' ' ALA . . . -67.73 -18.69 64.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.63 -31.95 36.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -43.34 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -19.49 53.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 93.88 -40.59 2.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB1' ' CB ' ' A' ' 33' ' ' ALA . . . 60.32 145.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.81 17.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.653 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -77.12 -148.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -165.11 -165.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' H ' ' CG ' ' A' ' 41' ' ' LYS . . . -152.31 114.82 4.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.441 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER 178.55 -85.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.86 -163.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 -37.4 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.406 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -76.01 -9.1 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 69.96 86.76 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.493 ' HB1' ' CA ' ' A' ' 65' ' ' PRO . . . -172.92 179.31 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 0.803 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.598 ' OE2' ' CE2' ' A' ' 40' ' ' PHE . 1.2 tp10 -84.47 148.42 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.499 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 17.5 m -148.0 135.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.653 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -144.33 125.2 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 126.55 41.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 110.462 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.05 130.65 5.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 98.27 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 57' ' ' GLY . 15.2 m -166.86 -168.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 51.15 21.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.91 44.39 68.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.26 155.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.48 176.14 10.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.7 pp -175.93 103.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.482 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 23.0 t -102.02 110.48 28.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -98.71 122.85 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -142.34 165.98 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HE3' ' CB ' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 174.6 123.03 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.757 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.94 -155.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.641 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 1.1 mpt_? -79.94 -84.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -46.92 -20.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.757 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 34.8 m-85 60.64 -82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.57 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.093 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.523 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 2.2 m-80 -71.97 -43.23 65.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.533 ' O ' ' NE2' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -52.56 -38.87 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.0 t -70.48 -52.36 22.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.645 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.72 -51.26 3.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.909 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.97 -55.99 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 0.751 . . . . 0.0 110.368 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.533 ' NE2' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -43.58 -47.55 7.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.65 -45.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.72 -66.57 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.909 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -75.05 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 82' ' ' PHE . 4.7 mt -53.95 -41.13 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.757 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.16 -50.1 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -17.88 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.2 t80 -73.41 -45.17 56.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.505 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.6 m-85 -82.39 -12.7 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 t 57.22 55.97 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.0 OUTLIER -106.35 163.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.47 160.69 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -33.41 4.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.8 0.89 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.565 ' O ' ' N ' ' A' ' 6' ' ' LEU . 70.6 m-20 -109.5 -23.51 11.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.34 133.06 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.555 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -136.54 119.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' HG23 ' A' ' 8' ' ' VAL . 43.7 t -104.47 123.78 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -103.72 144.92 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.576 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 10.2 t-160 -151.36 -177.55 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.674 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.514 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p-10 -102.88 140.28 37.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.3 t70 -151.13 163.88 37.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -103.58 120.31 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.78 -71.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 138' ' ' GLY . 4.6 mm? -125.07 -106.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.42 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -90.55 174.56 7.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.578 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 63.6 m-85 -90.12 93.75 9.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.497 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 148.39 40.93 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.506 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 0.0 OUTLIER -140.26 157.64 45.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.0 OUTLIER -117.14 165.5 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -147.29 107.64 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.21 131.86 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.29 174.99 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.512 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -132.24 -87.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.512 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -49.22 -51.34 26.24 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.13 76.68 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -139.72 -168.92 11.47 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 48.47 63.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.89 49.22 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.93 58.26 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -114.54 134.14 55.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -59.79 -52.93 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.69 -63.27 5.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.604 ' O ' HG11 ' A' ' 121' ' ' VAL . 10.8 mt -49.3 -42.88 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.469 ' O ' HG11 ' A' ' 122' ' ' VAL . 8.7 ttp180 -64.06 -32.82 74.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 13.2 t -72.47 -28.42 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.645 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.03 -42.54 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.502 ' N ' HG11 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -63.87 -47.95 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.0 -36.11 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.84 -45.57 70.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.615 ' CD1' ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -78.04 -24.18 47.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.48 2.5 55.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.565 ' HB ' ' CE1' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -107.75 -158.62 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.4 62.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -148.04 15.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' A' ' 87' ' ' PRO . 10.0 m-85 -85.75 162.75 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.481 ' CB ' HD12 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -107.24 164.96 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.426 1.079 . . . . 0.0 110.362 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.9 mtt-85 -144.3 149.4 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 2.5 t -121.76 89.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.3 mtp85 -85.47 145.62 27.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' A' ' 96' ' ' ASP . 2.8 mt -97.7 151.12 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.459 ' N ' HG21 ' A' ' 135' ' ' ILE . . . -104.26 97.77 1.45 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.61 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -108.65 102.43 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . 57.59 169.86 0.17 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.66 158.34 75.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 144.11 29.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.802 . . . . 0.0 111.046 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -171.64 -72.66 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -150.63 58.75 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 0.809 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.29 -68.66 0.92 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -175.58 97.42 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.32 79.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -58.49 -38.66 78.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -76.02 -25.92 56.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.441 ' CG2' HD13 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -74.65 -29.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.555 HD22 ' CD2' ' A' ' 17' ' ' TYR . 2.3 mt -106.18 45.38 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.57 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.5 mm-40 -64.07 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.592 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 5.5 t-20 150.65 46.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.725 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.6 OUTLIER -70.87 31.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -10.42 -55.66 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.906 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.725 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.1 -83.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.573 ' HB1' ' CD2' ' A' ' 154' ' ' PHE . . . -40.88 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.478 ' N ' ' HB3' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -78.54 -43.98 25.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.022 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.52 -30.36 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.503 ' N ' ' HG3' ' A' ' 159' ' ' ARG . . . -75.1 -41.07 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.575 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 4.9 mm-40 -78.18 -35.93 48.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.512 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 1.1 t -49.02 -51.74 53.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.022 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -36.15 2.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.559 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.2 m -52.0 -50.46 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.575 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -80.79 -49.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 170' ' ' ALA . 17.2 m -44.21 -50.99 8.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.65 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 3.8 mm-40 -67.13 -49.07 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.57 -48.45 81.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -71.91 -30.6 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -57.38 -47.73 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.8 m-20 -69.58 -45.5 68.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.602 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -61.45 -36.53 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 169' ' ' ALA . 2.2 m -64.88 -51.69 60.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.652 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.97 -34.57 68.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.652 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 tp -72.57 -44.99 61.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.52 ' HG ' ' CB ' ' A' ' 181' ' ' MET . 3.8 tt -50.68 -43.95 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.67 -23.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 175' ' ' LEU . 5.5 tm-20 -57.2 -49.23 76.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.413 1.071 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -140.52 -71.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -144.68 170.84 26.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.52 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 16.9 ptp -89.65 -12.09 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -44.03 -49.68 21.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.929 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -74.96 -36.74 2.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.2 tt0 -68.71 -37.77 79.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 11.4 m-20 -82.29 -23.92 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.32 -57.29 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.723 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -70.26 -49.66 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.563 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.51 17.07 1.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -75.64 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.503 ' CZ3' ' O ' ' A' ' 187' ' ' ARG . 39.9 p90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.474 0.178 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.56 100.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.91 137.57 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.05 176.84 9.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -140.39 134.59 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.714 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -133.18 136.71 45.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 34.1 t -129.33 145.93 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.437 HG22 ' CG2' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -140.07 116.95 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.69 114.5 4.84 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.152 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.65 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -107.2 108.89 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.54 -139.6 6.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -133.68 118.12 14.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.97 -7.33 19.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . -62.84 -112.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 164.44 -82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -46.14 -40.88 11.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.587 ' CE1' HD23 ' A' ' 151' ' ' LEU . 1.3 t80 -84.61 -22.89 29.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.83 -28.71 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 21' ' ' ARG . 18.8 mmt85 -45.36 -28.86 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -75.14 20.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.592 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.0 mmp_? 70.43 14.02 7.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 9.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.592 ' H ' ' C ' ' A' ' 21' ' ' ARG . 65.8 t30 -125.94 29.41 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.526 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -54.19 -46.58 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.58 -61.65 4.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD2' ' OH ' ' A' ' 68' ' ' TYR . 1.9 t80 -72.83 -23.03 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.526 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 5.1 t -73.71 -39.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.479 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 1.2 t -71.54 -51.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.1 -47.34 71.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.2 m-20 -59.39 -45.93 90.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.05 -60.56 3.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.89 -25.68 57.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' CA ' ' HB1' ' A' ' 38' ' ' ALA . . . -84.71 -21.18 30.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.7 -28.8 33.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -90.16 -42.82 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -85.07 18.37 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.19 -55.07 0.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.475 ' HB1' ' CA ' ' A' ' 33' ' ' ALA . . . 74.15 145.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -163.84 36.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 109.38 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.546 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.01 -150.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -164.6 -163.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.85 144.81 46.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -100.65 108.42 20.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.78 47.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -39.21 -61.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.501 ' CB ' HD23 ' A' ' 79' ' ' LEU . 78.1 p -78.77 -25.26 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' HIS . . . 72.36 76.49 0.62 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 175.51 178.59 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.753 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.72 147.8 26.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.4 m -141.75 129.41 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -145.81 110.12 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -98.92 163.5 12.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.37 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -149.21 -165.0 11.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.71 131.01 6.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.3 OUTLIER 174.44 -174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.542 ' CB ' ' CG2' ' A' ' 177' ' ' ILE . . . 44.67 26.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 1' ' ' MET . . . 65.0 50.71 56.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.3 154.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 0.762 . . . . 0.0 110.345 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -77.82 164.09 25.5 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -141.81 129.27 21.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.466 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.5 t -107.77 108.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.507 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 1.5 tm? -107.82 110.22 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.97 172.92 7.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER -177.12 115.87 0.26 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.652 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -155.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.6 mmt180 -84.88 -85.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -47.15 -19.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 108.322 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.733 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.0 m-85 61.42 -80.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.451 ' CG ' ' HA3' ' A' ' 117' ' ' GLY . 3.9 ttt -37.7 -84.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -69.2 -38.05 78.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -56.44 -37.78 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.8 t -71.5 -56.67 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.635 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -41.47 -52.58 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.57 -47.1 28.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.587 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.5 tp60 -43.99 -50.86 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 110.237 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 80' ' ' ALA . 7.9 mt -68.34 -48.31 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.38 -66.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.01 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.501 HD23 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.44 -40.97 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.46 -50.11 54.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -16.8 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.751 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -82.55 -12.87 57.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.8 t 51.54 46.25 26.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.959 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.96 172.05 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.503 ' O ' ' OD1' ' A' ' 89' ' ' ASN . . . -80.45 123.6 82.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.49 ' O ' ' CG2' ' A' ' 90' ' ' ILE . 18.2 Cg_endo -75.01 3.24 5.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.1 -14.54 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.714 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -99.6 -4.17 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.913 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 87' ' ' PRO . 1.2 tt -86.81 134.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.448 ' CG1' ' O ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -134.72 116.94 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.437 ' CG2' HG22 ' A' ' 8' ' ' VAL . 46.7 t -99.72 123.17 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.617 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -111.95 143.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.65 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 13.0 t-160 -161.96 166.28 26.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.547 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.554 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 6.9 t0 -94.07 145.13 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -138.19 168.07 20.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.558 ' CA ' ' HA3' ' A' ' 138' ' ' GLY . 1.1 pt? -96.13 83.5 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -132.05 -47.68 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.581 HD22 ' CD1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -136.4 95.97 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 138' ' ' GLY . 48.7 tt0 -75.25 35.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.581 ' CD1' HD22 ' A' ' 99' ' ' LEU . 6.3 m-85 -100.63 -40.98 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.574 ' O ' ' CG2' ' A' ' 165' ' ' ILE . . . 124.42 37.68 0.55 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.662 ' NH2' ' CD1' ' A' ' 191' ' ' TRP . 15.0 mmt-85 -103.04 -179.38 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.249 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.46 HD11 ' CB ' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -122.41 166.69 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.3 OUTLIER -146.79 109.07 4.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.615 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.82 132.17 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.31 166.41 26.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.506 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -127.94 -87.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.506 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -64.03 -35.29 91.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.431 ' C ' ' NH1' ' A' ' 132' ' ' ARG . . . -86.93 143.93 19.2 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.95 -173.02 18.96 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 70.11 73.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -116.36 -101.23 2.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.48 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -89.17 71.81 2.3 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 29.6 m80 -155.76 111.68 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' SER . 1.8 t30 -62.95 -43.12 99.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.451 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -54.57 -61.9 6.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.62 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.9 mt -53.01 -51.11 62.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.7 mtp180 -59.11 -31.64 69.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 31.1 t -73.45 -28.31 61.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.635 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.89 -43.35 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.559 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.52 -45.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.98 -36.9 75.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -71.62 -38.88 70.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.532 HD22 ' CB ' ' A' ' 80' ' ' ALA . 1.6 mt -82.6 -22.4 34.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.86 7.69 75.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 72.76 127.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -178.13 36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 1.3 m-20 87.79 125.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.559 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 22.1 p90 -178.9 158.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.474 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -129.03 167.44 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 110.237 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.72 150.93 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.345 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.617 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 41.7 t -126.51 89.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 19.8 mtp180 -86.38 144.2 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.523 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 3.2 mp -104.86 149.6 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . -94.13 118.52 5.78 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.745 ' CG2' ' O ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -145.35 23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.38 0.694 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.558 ' HA3' ' CA ' ' A' ' 97' ' ' LEU . . . -119.58 141.81 15.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.533 ' O ' ' HD3' ' A' ' 141' ' ' PRO . 1.7 mtt180 -130.51 74.89 79.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.406 ' HB3' ' HB3' ' A' ' 146' ' ' PRO . 18.3 Cg_endo -75.01 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 139' ' ' ARG . 18.2 Cg_endo -75.04 -35.58 3.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.443 1.759 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.65 -85.59 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.43 1.081 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -159.54 21.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.406 ' HD3' ' CG ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -67.03 -63.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 145' ' ' ASP . 2.3 p30 -173.22 94.41 0.35 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.406 ' HB3' ' HB3' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -75.0 -53.0 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.538 1.809 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.429 ' O ' HG11 ' A' ' 150' ' ' VAL . . . -56.39 -45.36 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.52 90.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 139' ' ' ARG . 0.8 OUTLIER -68.92 -25.99 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -77.88 -33.31 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.587 HD23 ' CE1' ' A' ' 17' ' ' TYR . 85.5 mt -79.36 50.44 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.692 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -81.75 -99.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.692 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.6 t30 138.69 49.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.654 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -69.32 27.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.604 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.46 -52.11 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.51 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.654 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -41.71 14.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.9 mt-10 -73.26 -32.29 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.02 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -59.93 -42.57 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.496 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -75.67 -36.65 60.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.633 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 12.8 mm-40 -75.99 -37.56 58.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -50.69 -52.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.02 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -29.62 7.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.633 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.3 m -60.43 -56.68 18.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.431 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.617 ' O ' ' N ' ' A' ' 169' ' ' ALA . 0.0 OUTLIER -73.08 -51.68 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.546 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 21.8 m -41.05 -48.66 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.357 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.21 -48.57 70.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.522 ' HB3' ' CE2' ' A' ' 191' ' ' TRP . 0.9 OUTLIER -64.71 -43.52 93.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.617 ' N ' ' O ' ' A' ' 165' ' ' ILE . . . -71.92 -35.35 69.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -56.08 -49.01 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.87 -38.62 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.527 ' HB1' ' CG2' ' A' ' 188' ' ' VAL . . . -65.56 -37.25 86.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.9 m -65.09 -51.01 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.44 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.7 pt-20 -55.35 -43.01 74.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.49 -38.91 92.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.546 ' HG ' ' CB ' ' A' ' 184' ' ' ALA . 1.4 tt -54.74 -49.05 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.542 ' CG2' ' CB ' ' A' ' 56' ' ' ALA . 8.4 mt -79.09 -17.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -70.31 -33.55 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -132.64 -72.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -174.31 -152.13 8.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.596 1.185 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 185' ' ' GLN . 3.3 ptt? -95.35 -34.81 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -44.58 -51.94 19.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.945 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.14 -36.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.838 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.27 -43.15 82.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -66.9 -37.03 83.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 58.6 t30 -81.27 -22.66 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.427 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 3.7 ttt180 -102.88 -58.46 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.838 ' N ' ' O ' ' A' ' 184' ' ' ALA . 14.7 t -62.16 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.57 6.49 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.553 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -85.22 -71.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.662 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.046 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.524 0.202 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.25 175.42 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 8.7 pt-20 -169.29 102.79 0.48 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.387 1.054 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 17.9 Cg_endo -75.04 167.88 26.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -135.64 141.2 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.604 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.539 ' CG1' ' CD1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -122.78 141.0 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.13 124.11 45.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.85 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -95.62 100.48 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.86 -159.33 22.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.403 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.3 m120 -134.52 111.18 11.53 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 9.92 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.583 ' HA3' ' CE2' ' A' ' 17' ' ' TYR . . . -54.22 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.92 -129.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.41 -33.75 68.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.677 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -68.39 -29.32 67.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' ASN . . . -75.87 -38.24 58.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.582 ' O ' ' C ' ' A' ' 20' ' ' THR . 5.7 tpt180 -57.82 -45.83 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.582 ' C ' ' O ' ' A' ' 19' ' ' ARG . 51.5 p -22.48 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.621 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER 161.97 -11.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.72 2.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.621 ' H ' ' C ' ' A' ' 21' ' ' ARG . 60.2 t30 -112.31 36.17 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -61.52 -62.44 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -33.99 -62.01 0.48 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CG ' ' OH ' ' A' ' 68' ' ' TYR . 2.7 t80 -66.94 -35.4 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.527 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -62.22 -41.94 93.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.2 t -69.98 -51.39 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -55.41 -47.38 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 6.1 t70 -67.04 -30.2 70.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -64.31 -60.37 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.911 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.63 -50.35 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -52.52 -36.05 54.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -44.54 11.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.12 -168.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.911 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -90.87 -13.91 58.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 52.86 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.71 67.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.758 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -145.28 -151.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.979 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -151.44 -166.44 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.575 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -161.32 108.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER 179.02 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt 58.89 -172.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -31.69 49.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.216 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.481 ' CB ' HD21 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -71.93 -39.75 69.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 97.02 56.03 1.16 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.518 1.137 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.557 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -143.22 -179.36 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.575 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 mm-40 -83.69 146.88 27.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.02 107.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.758 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -115.55 109.64 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.01 150.67 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.12 134.12 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -141.03 98.47 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -162.33 -163.27 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.71 27.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.69 47.6 87.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER 177.15 152.85 0.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 110.347 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.09 178.49 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.2 pp -175.95 122.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 6' ' ' LEU . 8.1 t -106.13 114.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' ALA . 1.5 tm? -104.45 126.01 51.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 49' ' ' GLU . . . -142.64 165.61 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.03 121.23 0.31 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.648 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.06 -157.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.606 1.845 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.501 ' C ' ' N ' ' A' ' 68' ' ' TYR . 21.8 mmt180 -81.96 -83.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -46.87 -19.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.735 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.48 ' CG ' ' HA3' ' A' ' 117' ' ' GLY . 8.2 ttt -34.35 -93.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.32 -37.39 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.547 ' OE2' ' CZ ' ' A' ' 74' ' ' ARG . 2.6 mm-40 -56.48 -31.07 63.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.735 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.9 t -78.05 -56.25 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.648 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.55 -52.82 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.969 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.67 -44.55 49.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 0.728 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.3 tm0? -46.67 -50.51 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.791 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.9 mt -67.38 -46.56 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.401 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.11 -68.1 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.969 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -74.94 -45.82 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 46' ' ' SER . 0.3 OUTLIER -54.96 -39.47 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.51 -50.21 59.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -16.0 60.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.676 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -81.98 -37.61 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.2 -10.79 59.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.49 12.01 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.6 t -93.46 150.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.87 165.16 40.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.424 ' O ' HG21 ' A' ' 90' ' ' ILE . 18.2 Cg_endo -74.91 -18.04 19.29 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.582 1.833 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.16 -9.26 15.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 6' ' ' LEU . 69.3 m-20 -110.61 -20.39 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.424 HG21 ' O ' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -87.47 138.72 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.539 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -138.45 123.03 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 133' ' ' VAL . 58.7 t -103.96 137.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -117.06 146.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.568 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 9.3 t-160 -151.5 164.98 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.475 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 4.1 t0 -99.65 140.82 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.9 t0 -155.09 152.35 29.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.459 ' HB3' ' CG2' ' A' ' 150' ' ' VAL . 0.6 OUTLIER -82.13 129.65 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.4 -79.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.4 OUTLIER -136.52 -69.99 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.16 164.44 13.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 110.238 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -93.48 22.37 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -154.98 54.61 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 3.8 tmm_? -134.11 156.72 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.9 pp -123.76 159.51 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -143.79 112.93 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.7 139.3 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 172.13 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.6 OUTLIER -98.69 -93.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.495 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -105.28 40.73 2.37 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -37.53 -87.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.72 149.64 5.38 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.12 74.95 2.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 0.808 . . . . 0.0 110.253 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.12 -83.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.555 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -139.09 80.42 0.28 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 88.5 m-70 -163.59 112.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.45 -33.06 58.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.78 -67.32 2.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.616 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.2 mt -48.18 -42.15 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.475 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.68 -31.7 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 110.372 179.933 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 5.5 t -74.97 -28.16 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.648 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.07 -43.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.555 HG22 ' CZ ' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -66.71 -46.17 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.455 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.13 -37.55 78.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -67.55 -45.38 75.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.424 HD22 ' CB ' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -78.85 -20.6 49.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.36 2.19 87.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 74.45 130.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.6 mmtt -179.47 32.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.7 m-20 81.88 98.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.555 ' CZ ' HG22 ' A' ' 122' ' ' VAL . 6.3 p90 -127.05 160.8 30.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -108.18 155.3 20.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 3.5 tpp180 -140.63 163.48 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 24.3 t -153.17 85.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -89.38 141.91 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.5 mp -96.35 147.35 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.8 103.64 2.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.533 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.8 pp -121.67 81.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 139' ' ' ARG . . . -96.55 -130.03 6.33 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.6 ttt-85 87.11 71.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.255 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 140.96 26.01 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.545 1.813 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.496 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.2 Cg_endo -75.01 -54.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -165.35 28.84 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 70.95 1.4 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -52.26 65.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.495 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -161.28 100.83 1.24 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.8 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.8 -46.37 68.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -59.05 -39.46 82.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.496 ' CD2' ' HD3' ' A' ' 141' ' ' PRO . 3.2 t80 -75.21 -29.76 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.91 -41.46 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.419 ' C ' HG21 ' A' ' 20' ' ' THR . 1.1 mt -93.89 39.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 4.6 tt0 -75.75 -101.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.631 ' C ' ' H ' ' A' ' 155' ' ' THR . 7.9 t-20 162.99 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.854 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -67.15 30.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.631 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -23.68 -48.95 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.73 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.768 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.616 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -75.22 -26.83 59.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.854 ' N ' ' O ' ' A' ' 154' ' ' PHE . 19.9 mt-10 -81.04 -40.23 24.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -66.47 -34.95 79.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 0.0 110.276 -179.935 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.39 -38.93 48.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.58 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 5.1 mm-40 -77.87 -34.78 51.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.522 ' O ' ' SG ' ' A' ' 166' ' ' CYS . 1.5 t -52.64 -51.88 69.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.07 -30.69 6.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.58 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 4.2 m -55.11 -55.05 35.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.549 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.08 -48.45 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.559 ' O ' ' CB ' ' A' ' 170' ' ' ALA . 54.1 m -49.31 -47.52 46.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -65.58 -46.13 80.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -65.32 -44.96 86.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.922 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -72.73 -34.54 67.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -57.31 -49.08 77.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -68.94 -40.73 78.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.613 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -64.41 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 169' ' ' ALA . 7.2 m -63.48 -51.32 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -59.34 -43.68 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.446 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.3 tp -68.63 -36.19 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.8 tt -55.2 -50.74 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -76.91 -21.81 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.85 -58.88 6.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -119.13 -73.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.432 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -154.79 -171.75 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 185' ' ' GLN . 7.7 ptp -88.71 -18.62 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -46.65 -48.44 49.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.92 -37.75 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.456 1.766 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.658 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.46 -36.87 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.627 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.2 tt0 -71.16 -39.98 71.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.4 t-20 -82.63 -21.93 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.17 -55.14 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.912 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.658 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -76.21 -57.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.627 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -65.37 -6.51 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.676 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -139.67 97.35 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.517 0.198 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . . . -173.65 124.33 0.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -179.25 125.12 0.24 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.02 152.21 40.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -132.3 140.1 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.578 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.1 tt -107.57 143.6 35.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.527 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 2.0 t -126.34 139.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG23 ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.14 120.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.19 106.68 3.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.578 ' HG ' ' CG ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -92.47 98.63 11.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.37 -141.16 5.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.573 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 4.7 m-20 -140.28 130.73 13.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.507 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 139.35 24.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.34 113.89 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -42.82 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 44.38 -140.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.578 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 2.0 t80 -64.81 -17.21 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.499 ' HB2' ' CB ' ' A' ' 12' ' ' ASN . . . -72.56 -42.01 65.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.524 ' O ' ' C ' ' A' ' 20' ' ' THR . 8.7 tpt85 -37.76 -48.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.616 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 30.6 p -28.61 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.629 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 166.68 -15.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.464 ' CD2' HH21 ' A' ' 21' ' ' ARG . 0.1 OUTLIER -54.21 -3.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.513 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.629 ' H ' ' C ' ' A' ' 21' ' ' ARG . 59.8 t30 -120.69 44.01 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -62.2 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -34.16 -64.78 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ASP . 1.3 t80 -63.36 -34.87 78.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.613 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 1.8 t -58.01 -41.13 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.4 t -77.38 -51.07 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -56.89 -34.46 67.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 6.4 m-20 -69.7 -54.24 14.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD22 ' CG1' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -56.95 -53.87 53.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mt -57.15 -51.66 68.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -62.06 -24.52 67.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.27 -30.95 58.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -44.18 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -39.92 92.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.39 -8.6 79.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.31 141.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.705 ' CD2' ' CB ' ' A' ' 51' ' ' ALA . 64.3 m-85 -60.1 156.84 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' O ' ' CD ' ' A' ' 49' ' ' GLU . 1.6 mttp -118.32 175.4 5.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 43' ' ' HIS . . . -126.68 153.56 45.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 48' ' ' ALA . 6.6 t-160 71.55 -85.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.577 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.14 52.8 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 71.66 -70.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 110.297 -179.95 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -39.51 -44.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.01 49.89 1.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' HIS . . . -171.72 -176.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.517 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 3.7 tp10 -84.38 149.35 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.257 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.517 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 8.2 p -170.41 157.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.705 ' CB ' ' CD2' ' A' ' 40' ' ' PHE . . . -171.76 124.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.29 151.25 46.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.404 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -140.6 133.39 5.91 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -140.48 105.42 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.414 0.714 . . . . 0.0 110.343 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.44 -173.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.07 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.07 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.41 58.82 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.491 ' HB3' ' CG2' ' A' ' 177' ' ' ILE . 0.6 OUTLIER -178.65 157.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.0 179.01 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER 176.87 116.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.9 t -108.92 116.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' CD2' ' HB ' ' A' ' 7' ' ' VAL . 3.4 mm? -102.75 127.4 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -144.23 168.96 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 178.19 122.92 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.708 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.0 -154.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.5 mmt-85 -87.25 -88.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.47 ' H ' ' CD ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -44.61 -23.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 108.269 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.4 m-85 63.38 -79.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.559 ' O ' ' O ' ' A' ' 68' ' ' TYR . 12.0 ttm -29.28 -99.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.58 -32.31 73.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.553 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 1.7 mt-10 -60.4 -38.64 84.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.882 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.0 t -71.85 -47.05 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -50.4 -49.14 39.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 1.079 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.85 -38.15 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.547 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.3 mm-40 -60.26 -44.98 94.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.676 ' O ' ' N ' ' A' ' 80' ' ' ALA . 57.9 mt -69.18 -51.13 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.6 -61.9 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 1.079 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.03 -40.56 67.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.96 -50.95 60.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -74.45 -16.9 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -78.18 0.39 25.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p 51.33 46.21 26.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.382 1.051 . . . . 0.0 110.064 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 86' ' ' ALA . 53.2 t -119.05 165.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.465 ' N ' ' CG1' ' A' ' 85' ' ' VAL . . . -82.75 155.78 68.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.445 ' HG3' ' HB3' ' A' ' 128' ' ' LYS . 18.1 Cg_endo -75.03 -19.35 17.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.51 -5.14 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.578 ' O ' ' N ' ' A' ' 6' ' ' LEU . 73.3 m-20 -106.63 -18.64 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 80' ' ' ALA . 40.7 mt -88.75 137.42 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.494 ' CD1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 117.63 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.8 p -102.72 124.81 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.512 ' CG1' ' HA2' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -102.91 146.8 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.578 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 9.2 t-160 -158.93 -171.88 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.489 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.2 p-10 -85.65 138.53 32.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.659 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.3 t0 -121.18 116.39 24.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -79.61 49.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.57 -71.81 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.674 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 5.5 tp -132.97 -132.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER -88.61 165.66 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.462 ' HA ' ' HA ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -74.82 131.96 41.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.445 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 134.24 8.15 2.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.507 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 4.1 mmm-85 -134.47 166.33 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.525 HG23 ' CD1' ' A' ' 165' ' ' ILE . 1.1 pp -123.64 160.84 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.96 88.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.52 139.98 38.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.219 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -150.38 -171.95 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.492 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.6 tp -129.13 -87.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.492 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -79.98 52.68 4.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.47 1.106 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -78.02 -110.01 0.18 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 174.13 118.81 0.52 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.476 ' N ' HH12 ' A' ' 132' ' ' ARG . 0.3 OUTLIER -45.77 -65.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.796 . . . . 0.0 110.302 -179.925 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.94 -107.15 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -110.17 68.87 0.21 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -142.53 118.51 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -70.68 -40.63 72.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -65.28 -60.78 6.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.102 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.68 -48.28 69.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.355 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -59.12 -34.72 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.403 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t -70.81 -30.74 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.451 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.6 t -70.75 -43.12 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 126' ' ' GLY . 5.1 t -73.46 -27.89 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.22 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -75.78 -44.11 43.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.56 -21.42 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.96 8.17 82.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.579 1.174 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.502 ' OG1' ' CG1' ' A' ' 122' ' ' VAL . 0.5 OUTLIER 72.26 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 110.388 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.501 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -163.02 25.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.6 OUTLIER 80.36 101.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.511 ' CE2' ' CG2' ' A' ' 122' ' ' VAL . 5.7 p90 -133.87 176.67 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.443 ' CG ' HD13 ' A' ' 108' ' ' ILE . 84.1 mt-30 -111.56 154.46 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.476 HH12 ' N ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -144.26 149.35 36.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 23.0 t -133.34 87.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.7 mtp180 -95.43 127.16 41.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.659 ' O ' ' N ' ' A' ' 96' ' ' ASP . 4.9 mp -88.93 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.502 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -84.71 89.67 1.6 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -115.0 102.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.674 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . 49.98 176.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 140' ' ' PRO . 0.2 OUTLIER -104.31 171.23 5.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 179.924 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -74.95 179.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.504 ' HB3' ' CB ' ' A' ' 147' ' ' ALA . 18.4 Cg_endo -75.01 134.64 18.05 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 111.06 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 156.08 56.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 173.54 -156.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.585 0.814 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -48.04 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 166.87 67.7 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 149' ' ' PHE . 18.3 Cg_endo -74.93 -51.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.504 ' CB ' ' HB3' ' A' ' 141' ' ' PRO . . . -58.24 -44.6 88.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.48 67.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 146' ' ' PRO . 3.4 t80 -76.32 -31.64 58.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.466 ' CG1' HD13 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -68.13 -37.25 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.486 ' CD1' ' CD ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -99.21 43.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.553 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 2.1 tt0 -81.91 -97.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 110.385 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.611 ' C ' ' H ' ' A' ' 155' ' ' THR . 18.4 t30 164.66 48.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.861 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.609 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -68.98 28.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.611 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -28.11 -50.83 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 155' ' ' THR . 18.5 Cg_endo -74.9 -62.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.588 ' HB1' ' CD2' ' A' ' 154' ' ' PHE . . . -50.39 -45.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.609 ' N ' ' O ' ' A' ' 154' ' ' PHE . 17.3 tt0 -71.76 -30.41 65.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.83 -43.92 90.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -77.14 -34.38 56.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.587 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 3.8 mm-40 -75.25 -37.76 60.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.608 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.2 t -53.3 -50.68 81.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -26.22 11.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.581 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 8.2 m -65.89 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.587 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.01 -53.18 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 170' ' ' ALA . 46.7 t -46.1 -48.05 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.8 tt0 -57.78 -46.74 84.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.498 ' O ' ' CG2' ' A' ' 188' ' ' VAL . 27.2 mm-40 -64.09 -47.79 78.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.87 80.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.93 -43.07 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -67.05 -46.27 74.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.44 ' HA ' ' CB ' ' A' ' 184' ' ' ALA . . . -58.21 -45.81 86.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.5 m -66.17 -50.49 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -57.84 -47.32 83.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.51 -39.48 88.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.525 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.1 tt -51.09 -51.33 54.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 58' ' ' ARG . 31.6 mt -75.04 -24.47 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.48 -43.15 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -71.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -153.5 172.39 32.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -16.4 27.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.4 mt-10 -51.95 -46.31 92.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.0 -38.3 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.422 1.748 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.31 -39.79 92.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.522 ' HA ' ' CB ' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.14 -38.47 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.58 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 58.0 t30 -81.67 -18.78 43.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.2 ttt180 -95.72 -54.4 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.653 ' C ' ' H ' ' A' ' 190' ' ' ALA . 50.1 t -90.04 -58.01 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.522 ' CB ' ' HA ' ' A' ' 185' ' ' GLN . 22.4 t-80 -68.13 22.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.653 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -105.93 -41.47 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.515 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.59 136.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.22 69.0 3.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.46 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -125.18 166.31 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.226 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' HG ' ' CG1' ' A' ' 61' ' ' VAL . 1.5 tt -117.41 144.6 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.473 ' HB ' ' CD2' ' A' ' 62' ' ' LEU . 23.7 t -127.88 143.46 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.31 124.72 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -103.76 111.44 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.595 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -90.76 104.48 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.475 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.47 -148.19 10.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 18' ' ' ALA . 3.5 t-20 -135.46 118.8 12.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -12.1 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 15' ' ' ALA . . . -59.1 -116.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 14' ' ' GLY . . . 166.82 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -47.98 -35.83 11.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.411 ' O ' ' OG1' ' A' ' 20' ' ' THR . 0.2 OUTLIER -94.03 -20.24 20.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.922 -179.924 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 12' ' ' ASN . . . -71.43 -32.34 68.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.455 ' C ' ' H ' ' A' ' 21' ' ' ARG . 2.1 mpt_? -50.37 -36.26 31.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.637 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 34.8 p -61.92 -2.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.49 179.911 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.637 ' CB ' ' O ' ' A' ' 20' ' ' THR . 1.6 tpp180 95.96 11.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.469 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -67.58 9.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.577 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.566 ' H ' ' C ' ' A' ' 21' ' ' ARG . 64.4 t30 -126.94 34.63 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.3 OUTLIER -59.81 -43.79 94.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -50.81 -56.75 12.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.0 t80 -76.46 -25.34 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.533 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 4.4 t -71.23 -42.83 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.45 ' CG1' HD13 ' A' ' 93' ' ' ILE . 1.6 t -70.71 -51.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.04 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.1 m-20 -66.33 -48.26 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.513 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.65 -58.62 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -59.47 -29.36 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.62 ' CB ' ' CE1' ' A' ' 40' ' ' PHE . . . -77.48 -25.18 50.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.96 -27.07 36.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.61 1.194 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.02 -42.81 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -44.05 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.45 -8.04 80.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.82 146.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.97 85.23 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.767 ' CD2' ' CB ' ' A' ' 51' ' ' ALA . 58.6 m-85 -62.57 -173.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.532 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -155.31 -169.37 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -167.74 122.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.467 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -119.81 -174.61 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.07 -179.8 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 69.47 -72.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.478 ' CB ' HD23 ' A' ' 79' ' ' LEU . 6.4 p -150.53 33.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -107.1 -57.83 0.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' A' ' 42' ' ' ALA . . . 47.2 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.373 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.532 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.34 137.7 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.568 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -174.37 166.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.767 ' CB ' ' CD2' ' A' ' 40' ' ' PHE . . . -171.52 126.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.41 150.69 25.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -139.93 129.77 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.587 1.179 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.26 99.03 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 57' ' ' GLY . 65.6 p -169.08 -160.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.928 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.79 27.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.14 48.56 78.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 172.13 154.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 0.716 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -79.92 177.06 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 173.96 123.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t -106.93 115.95 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.568 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 2.2 mm? -93.52 120.79 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -127.99 167.02 17.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 178.66 115.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.655 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.98 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 68' ' ' TYR . 24.2 mmt85 -83.55 -84.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -46.39 -20.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.71 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.8 m-85 63.12 -78.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.465 ' O ' ' O ' ' A' ' 68' ' ' TYR . 1.5 ttp -38.6 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -60.92 -31.91 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.578 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.03 -47.1 86.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.71 ' N ' ' O ' ' A' ' 68' ' ' TYR . 43.9 t -64.24 -53.45 48.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.22 -52.14 7.22 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.18 -47.15 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 0.803 . . . . 0.0 110.264 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.4 mm-40 -48.91 -48.86 42.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.32 -47.95 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.92 -68.34 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.04 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.87 -40.14 66.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.46 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -15.97 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.672 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -76.32 -44.02 38.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.41 3.87 22.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.3 t 51.16 45.38 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.45 151.02 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 157.69 63.96 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.52 ' CG ' ' HB3' ' A' ' 128' ' ' LYS . 18.0 Cg_endo -74.96 -17.1 19.92 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.21 -8.65 33.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.615 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 13.9 m-20 -114.65 -14.58 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 67.6 mt -89.15 121.9 39.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.577 HG23 ' CD1' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -125.34 119.16 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.5 p -101.37 121.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.529 ' CG2' ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -100.81 142.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.595 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.9 t-160 -157.44 -178.18 7.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.675 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.481 ' CB ' ' CD1' ' A' ' 24' ' ' LEU . 1.5 p30 -107.41 140.12 40.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 135' ' ' ILE . 11.7 t0 -145.76 152.74 40.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.63 115.22 23.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.46 -83.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 139' ' ' ARG . 2.8 mt -129.67 -81.73 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.1 mp0 -94.06 173.09 7.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -96.65 31.52 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.473 ' CA ' ' HG3' ' A' ' 161' ' ' GLU . . . -150.44 45.13 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.59 157.58 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.277 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 0.9 OUTLIER -123.31 159.55 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.561 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -147.63 108.6 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.344 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.61 ' HB3' ' CG2' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -112.73 140.78 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.12 -174.98 4.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.52 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.1 tp -119.35 -85.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.52 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -118.81 67.5 0.37 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.32 -97.39 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.614 ' N ' HH12 ' A' ' 132' ' ' ARG . . . -157.54 132.02 3.07 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -46.62 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 0.715 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.86 78.35 1.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 41.02 83.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.534 ' CE1' ' CE1' ' A' ' 94' ' ' HIS . 1.0 OUTLIER -167.43 110.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 0.702 . . . . 0.0 109.561 -179.923 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.405 ' CB ' ' HE1' ' A' ' 69' ' ' MET . 79.2 m-20 -63.1 -33.89 76.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.32 -63.53 5.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.404 ' O ' HG21 ' A' ' 122' ' ' VAL . 4.6 mt -54.59 -50.87 67.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -35.01 68.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 m -68.01 -34.33 76.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.474 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 46.1 t -71.23 -41.46 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 126' ' ' GLY . 10.6 t -70.03 -29.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.71 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -80.58 -47.13 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 14.6 mt -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.883 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.92 4.05 65.9 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.663 ' OG1' ' CE2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER 73.76 139.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 0.0 110.452 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.9 OUTLIER -169.0 28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 11.6 t0 86.47 22.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.663 ' CE2' ' OG1' ' A' ' 127' ' ' THR . 0.1 OUTLIER -52.04 174.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.503 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 58.7 mt-30 -119.21 150.7 39.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.216 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.614 HH12 ' N ' ' A' ' 111' ' ' GLY . 0.1 OUTLIER -138.94 151.18 46.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.61 ' CG2' ' HB3' ' A' ' 106' ' ' LEU . 10.8 t -136.68 80.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.2 mpp_? -88.91 144.71 26.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 4.2 mp -98.32 150.51 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.495 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -95.05 101.23 2.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.657 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.61 103.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.527 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . -141.41 -118.23 1.42 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.726 ' N ' ' HD3' ' A' ' 140' ' ' PRO . 0.0 OUTLIER 68.13 46.81 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.368 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.726 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -74.92 156.76 43.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.618 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.5 Cg_endo -74.94 -25.83 11.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 111.046 179.921 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -175.13 -101.63 0.15 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -148.37 18.14 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -59.87 -60.84 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 3.3 m-20 -162.81 102.55 1.04 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.46 98.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -60.39 -38.86 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.618 ' CD2' ' HD3' ' A' ' 141' ' ' PRO . 1.2 t80 -71.43 -29.01 64.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.581 ' CG2' ' CG1' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -73.88 -32.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 39.2 mt -94.65 30.45 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 6.9 mm-40 -83.57 -100.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.649 ' C ' ' H ' ' A' ' 155' ' ' THR . 19.2 t30 160.02 57.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.687 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.2 OUTLIER -65.97 27.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.65 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -11.93 -55.65 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.655 1.222 . . . . 0.0 110.423 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.776 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.81 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.646 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -40.42 -29.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.512 ' CG ' ' CZ ' ' A' ' 101' ' ' PHE . 7.6 mt-10 -80.94 -42.56 21.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.027 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.44 -32.39 62.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -75.03 -41.02 60.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.59 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 9.0 tp10 -78.05 -35.37 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.532 ' O ' ' SG ' ' A' ' 166' ' ' CYS . 1.2 t -49.51 -52.5 49.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.027 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.91 -33.01 5.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.59 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 18.2 m -55.32 -53.28 58.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.19 . . . . 0.0 110.409 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.545 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.06 -52.08 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 170' ' ' ALA . 56.0 m -45.84 -48.27 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 108.298 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -64.79 -48.67 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.646 ' HB3' ' CZ2' ' A' ' 191' ' ' TRP . 0.6 OUTLIER -63.27 -47.81 80.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -68.94 -35.57 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -55.56 -48.13 75.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -67.62 -42.05 82.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.592 1.182 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.631 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -64.38 -35.73 81.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.6 m -64.07 -50.62 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -56.98 -47.01 81.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.511 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.6 OUTLIER -63.13 -35.44 80.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.531 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 2.3 tt -56.87 -51.14 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.3 -27.09 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.416 ' OE2' ' O ' ' A' ' 174' ' ' GLU . 0.1 OUTLIER -59.53 -72.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -75.25 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.236 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -160.66 -170.61 25.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.426 ' HA ' ' HB2' ' A' ' 184' ' ' ALA . 25.0 ptt? -89.43 -12.66 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.539 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -50.81 -49.24 80.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -74.96 -37.22 2.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.398 1.736 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.54 -44.32 87.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.8 tt0 -67.34 -37.09 82.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.5 t-20 -81.91 -24.4 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.55 -57.87 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.352 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.779 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -65.31 -55.0 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -70.09 -13.87 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -139.62 93.53 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.378 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.646 ' CZ2' ' HB3' ' A' ' 168' ' ' GLN . 20.0 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.999 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.445 0.165 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.72 -173.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -121.72 158.11 55.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.7 Cg_endo -74.95 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.486 1.782 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 1.1 mt -136.76 142.84 43.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -111.44 142.28 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.606 ' CG2' ' HA ' ' A' ' 62' ' ' LEU . 1.2 m -126.29 143.63 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.06 122.19 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.75 108.18 3.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.625 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -89.58 94.13 9.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.402 0.707 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 68' ' ' TYR . . . -116.3 -149.63 9.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 22' ' ' HIS . 24.6 t-20 -136.61 127.16 16.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.03 -24.92 12.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.72 178.61 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -131.21 -179.0 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 m120 56.17 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.566 ' CE1' HD22 ' A' ' 151' ' ' LEU . 4.1 t80 -68.39 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.37 -40.75 42.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.1 tpt180 -51.38 -47.01 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.674 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 63.5 p -24.83 -45.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.674 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.63 -15.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -54.27 -4.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.592 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 1.7 t-20 -111.29 35.89 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 135' ' ' ILE . 0.5 OUTLIER -65.17 -67.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -34.74 -60.36 0.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 4.1 t80 -63.93 -35.57 81.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.592 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 2.0 t -59.67 -42.03 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 93' ' ' ILE . 26.5 t -71.09 -50.22 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -57.74 -45.71 85.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.4 t0 -59.15 -43.49 92.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.522 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -59.22 -62.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -58.5 -30.53 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.662 ' CB ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.53 -24.52 53.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -29.43 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -43.44 16.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -48.34 66.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.34 -8.85 79.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.74 144.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -90.42 61.15 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.754 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 40.0 m-85 -34.41 152.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -115.54 178.42 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.336 179.922 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -153.44 96.5 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 2.8 t60 179.82 -146.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.13 . . . . 0.0 109.647 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 87.64 161.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -27.87 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.046 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.437 ' CB ' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -82.14 -23.63 35.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 58.98 70.1 1.09 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.545 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -152.82 177.72 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 1.5 tp10 -89.47 149.32 22.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.561 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 10.5 p -175.01 158.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.754 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -163.67 128.91 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.34 126.76 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -114.32 107.47 1.85 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.64 107.76 17.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.51 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.22 -155.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.8 27.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.49 40.44 98.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.147 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.51 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 176.7 157.22 0.29 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 0.743 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -81.45 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -167.12 120.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.424 HG11 ' CD1' ' A' ' 6' ' ' LEU . 37.2 t -101.0 110.73 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.606 ' HA ' ' CG2' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -91.97 116.89 29.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.45 161.61 28.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.87 110.46 0.24 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.653 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.03 -158.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' C ' ' N ' ' A' ' 68' ' ' TYR . 35.3 mmt180 -84.92 -85.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.5 OUTLIER -44.39 -22.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 108.288 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 63.13 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' TYR . 62.6 ttp -36.47 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -57.61 -38.38 74.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.729 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.9 t -73.34 -55.78 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.54 -52.05 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.957 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.18 -48.18 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 1.9 tt0 -42.74 -51.29 5.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 5.7 mt -67.21 -44.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.86 -69.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.957 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -52.88 -39.38 62.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.757 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.89 -48.67 62.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.212 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -15.24 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -76.95 -45.11 28.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.527 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 16.6 m-85 -84.99 -10.93 56.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t 54.1 50.3 16.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.527 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 2.2 t -95.98 173.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.56 153.6 70.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.99 -34.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.19 2.61 6.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.505 ' O ' ' N ' ' A' ' 6' ' ' LEU . 57.2 m-20 -103.05 -22.03 13.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 47.4 mt -86.8 133.25 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.403 ' O ' ' CG1' ' A' ' 91' ' ' ILE . 0.1 OUTLIER -135.96 119.24 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 132' ' ' ARG . 7.3 p -108.12 123.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -103.65 146.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.625 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 8.8 t-160 -152.93 -177.1 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.486 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 4.7 p-10 -110.24 141.42 43.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -149.33 157.41 43.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.49 113.25 25.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -110.75 -70.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.66 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.5 OUTLIER -136.29 -88.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 138' ' ' GLY . 35.8 mp0 -94.44 175.51 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.575 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -92.97 59.07 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.068 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.483 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -178.19 40.63 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.573 1.17 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.573 ' HG3' ' N ' ' A' ' 104' ' ' ILE . 3.2 tpp85 -133.26 158.83 41.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.573 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -122.98 160.13 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.8 OUTLIER -148.02 108.33 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.22 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.66 139.23 42.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -153.15 -178.78 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.553 HG13 ' N ' ' A' ' 109' ' ' GLY . 2.2 tp -97.45 -90.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.553 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -140.49 51.3 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.602 1.188 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -102.81 49.72 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.6 -118.42 0.59 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.428 ' CD ' ' CZ ' ' A' ' 132' ' ' ARG . 2.5 mt-10 73.32 72.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -81.21 56.46 4.86 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 15.2 m80 -157.67 105.31 2.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 0.723 . . . . 0.0 109.585 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.63 -44.07 80.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.47 -62.95 5.74 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 9.7 mt -51.78 -45.38 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.223 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' HG11 ' A' ' 122' ' ' VAL . 1.7 mtt180 -58.65 -34.63 71.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 41.4 t -73.89 -30.23 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.493 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 2.2 t -69.8 -44.41 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.63 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.34 -39.95 83.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.422 ' N ' HG11 ' A' ' 122' ' ' VAL . . . -74.14 -35.25 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -75.97 -51.5 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.694 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 16.0 mt -80.13 -21.45 43.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.63 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 83.7 0.22 89.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 86.04 121.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.72 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.1 mmtt -163.01 24.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.72 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 73.5 m-20 103.53 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 32.1 m-85 53.7 149.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -107.66 159.61 16.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.428 ' CZ ' ' CD ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -139.2 148.69 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 16.8 t -130.77 86.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.504 ' C ' ' HG3' ' A' ' 105' ' ' ARG . 3.8 mpp_? -86.3 163.49 17.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.542 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 2.7 mp -112.36 152.78 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -102.76 87.62 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.633 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.23 99.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.386 0.697 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.561 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . -125.8 -113.78 1.93 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.576 1.172 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.66 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER 77.13 62.26 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.734 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.1 Cg_endo -75.08 142.3 27.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -40.26 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 173.51 70.97 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.403 1.065 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 43.32 33.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.797 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -87.55 -92.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.47 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 12.1 m-20 -130.66 99.85 18.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.407 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.95 -44.22 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.59 -46.96 71.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -54.86 -42.5 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.93 -29.9 61.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -63.55 -33.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 17' ' ' TYR . 11.6 mt -108.05 31.29 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 153' ' ' ASN . 3.5 tp10 -68.81 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.603 ' C ' ' H ' ' A' ' 155' ' ' THR . 14.3 t-20 167.02 50.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.731 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.4 OUTLIER -67.97 30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.98 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.67 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -9.4 -56.28 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.757 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.95 -80.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.617 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -41.92 -28.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.519 ' OE2' ' CE2' ' A' ' 101' ' ' PHE . 4.4 mt-10 -80.12 -42.42 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -75.5 -31.91 60.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.484 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -74.52 -41.31 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.611 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 1.8 mm-40 -77.81 -36.39 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.521 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 1.2 t -48.33 -51.09 53.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 160' ' ' ALA . 54.4 m -53.79 -53.59 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.611 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -77.15 -45.33 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.522 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . 13.6 m -50.86 -53.35 33.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 3.2 pt-20 -59.5 -47.19 86.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -60.58 -48.12 83.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.954 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -68.06 -36.52 79.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.64 -43.78 76.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 t0 -67.94 -45.48 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.548 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -60.15 -36.63 77.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.4 m -64.73 -52.73 55.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.651 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.29 -35.35 67.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.651 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -72.98 -41.36 64.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.439 ' HA ' ' C ' ' A' ' 180' ' ' GLY . 4.1 tt -53.38 -42.48 66.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 51.7 mt -77.82 -30.67 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.34 -32.36 73.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -159.6 -71.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.439 ' C ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.92 175.11 35.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -88.39 -16.6 32.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 111.034 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -46.81 -48.53 50.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -74.98 -39.88 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.44 -36.92 85.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.38 -40.12 67.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.226 -179.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 23.1 t-20 -79.43 -20.48 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.484 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.54 -53.01 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.635 ' C ' ' H ' ' A' ' 190' ' ' ALA . 46.5 t -88.87 -57.57 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.2 t-80 -70.29 22.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.635 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -90.86 -31.57 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.521 ' CZ2' ' HD3' ' A' ' 103' ' ' ARG . 3.3 p-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.486 0.184 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.65 81.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -167.97 109.42 0.57 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 18.5 Cg_endo -74.99 -175.95 2.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.083 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -122.77 125.94 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -111.77 138.61 48.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -133.44 143.83 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.97 116.88 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 64' ' ' LYS . . . -89.52 107.32 3.39 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.502 1.126 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -95.57 105.24 17.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -118.09 -147.34 8.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 14' ' ' GLY . 21.6 t-20 -137.38 123.53 13.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.0 -25.26 12.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -58.42 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.64 -76.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 -179.933 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -42.68 -45.87 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.504 ' CE2' HD22 ' A' ' 151' ' ' LEU . 19.6 t80 -89.48 -19.45 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.73 -28.74 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 21' ' ' ARG . 15.8 mmt85 -58.16 -13.49 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 17' ' ' TYR . 50.5 p -75.82 22.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.553 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 65.06 8.85 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.568 ' CE1' ' NE2' ' A' ' 94' ' ' HIS . 34.2 t-80 -69.2 11.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.635 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.553 ' H ' ' C ' ' A' ' 21' ' ' ARG . 24.1 t-20 -111.11 -0.16 16.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -34.3 -59.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -35.84 -58.99 0.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CE2' ' OD2' ' A' ' 30' ' ' ASP . 30.5 t80 -80.79 -30.97 35.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.756 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -60.9 -47.28 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.36 -51.25 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -55.17 -35.25 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.623 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 57.3 m-20 -71.04 -56.0 7.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.37 -52.62 63.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.35 -34.65 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -73.47 -54.87 7.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 -23.34 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 5.5 mpt_? -90.88 -57.1 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.544 ' HG ' ' H ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -60.61 -17.3 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.8 -5.46 82.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.544 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -32.56 144.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 0.732 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 52.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.68 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.35 -164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.12 -162.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -124.44 106.26 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.3 110.11 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.59 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -63.09 -53.52 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -45.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.462 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -60.31 -29.57 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.03 70.46 1.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' HIS . . . 174.38 175.91 0.16 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.459 0.74 . . . . 0.0 109.398 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 1.8 mt-10 -85.21 145.96 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.11 118.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.954 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.68 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -114.08 110.73 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.35 124.95 40.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 -159.25 8.18 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.8 mtp180 -158.67 130.81 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -175.46 -170.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.11 27.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 67.02 51.02 42.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.443 ' CD ' ' HA ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 164.32 156.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 110.349 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.488 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -52.2 165.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.4 pp -143.59 113.01 6.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.502 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 25.9 t -106.54 102.52 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' HA ' ' O ' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -106.85 104.62 14.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 49' ' ' GLU . . . -120.48 173.54 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER 179.52 123.17 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.732 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -160.99 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.508 ' C ' ' N ' ' A' ' 68' ' ' TYR . 57.2 mmt-85 -79.43 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.448 ' CB ' ' OE1' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -44.14 -23.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.96 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.732 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.4 m-85 63.19 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.511 ' CG ' ' HA3' ' A' ' 117' ' ' GLY . 10.5 ttt -35.82 -93.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.667 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.7 t-20 -61.51 -41.43 97.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -50.65 -48.8 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 68' ' ' TYR . 35.9 t -61.07 -52.38 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.636 ' HA2' ' HA ' ' A' ' 121' ' ' VAL . . . -40.47 -51.1 3.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.926 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.05 -56.63 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.643 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -39.68 -49.49 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.763 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -68.76 -45.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 179.924 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.926 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.07 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -52.58 -39.78 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.763 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.33 -51.0 49.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -15.79 60.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -75.8 -43.45 46.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.95 -10.69 59.89 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.7 t 50.92 45.97 26.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG22 ' ND2' ' A' ' 89' ' ' ASN . 4.4 p -105.09 169.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.562 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.35 149.0 51.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.705 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.06 -12.66 21.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.56 -18.87 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.755 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -103.39 -11.77 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.608 ' CG2' ' CD2' ' A' ' 130' ' ' PHE . 0.7 OUTLIER -95.96 131.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.942 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.519 HG13 ' CD1' ' A' ' 93' ' ' ILE . 0.1 OUTLIER -137.49 141.9 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.485 ' C ' HD12 ' A' ' 93' ' ' ILE . 22.0 t -113.51 131.19 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.585 HD12 ' HB ' ' A' ' 133' ' ' VAL . 0.4 OUTLIER -103.44 138.91 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.568 ' NE2' ' CE1' ' A' ' 22' ' ' HIS . 5.5 t-160 -159.83 172.13 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.57 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -111.45 141.73 44.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 13.5 t0 -141.96 151.85 42.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.408 ' HA ' ' N ' ' A' ' 138' ' ' GLY . 0.8 OUTLIER -102.51 103.93 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.413 ' C ' ' HA3' ' A' ' 138' ' ' GLY . 0.6 OUTLIER -106.21 -82.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.4 OUTLIER -137.83 -44.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.0 OUTLIER -87.39 125.66 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.25 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.433 ' CD1' HG13 ' A' ' 137' ' ' ILE . 1.5 t80 -90.96 33.62 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.5 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -178.79 49.22 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.672 ' NH2' ' CD1' ' A' ' 191' ' ' TRP . 21.7 mmt-85 -135.95 173.65 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.537 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.5 pp -123.82 156.27 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -145.92 113.44 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -120.27 127.86 52.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 166.4 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 109.277 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -94.68 -55.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.34 60.63 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.26 88.52 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.94 -150.97 9.57 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.21 67.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.97 -49.76 26.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 176.12 66.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.463 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -118.84 147.31 44.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.547 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 120' ' ' SER . 6.2 m-20 -55.34 -63.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.511 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -56.74 -52.67 49.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.602 ' O ' HG11 ' A' ' 121' ' ' VAL . 11.9 mt -52.1 -50.58 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.386 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -67.96 -33.56 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.438 ' O ' ' HB1' ' A' ' 124' ' ' ALA . 33.5 t -72.51 -28.27 62.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.636 ' HA ' ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.12 -43.18 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 126' ' ' GLY . 89.7 t -70.38 -30.62 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.8 -35.88 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -82.56 -43.25 17.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.651 ' CD1' ' CE2' ' A' ' 130' ' ' PHE . 20.8 mt -79.61 -24.79 41.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 70.77 5.84 58.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.568 1.167 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.535 ' O ' ' CD ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER 56.83 158.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 110.404 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 5.7 tptt 170.14 35.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.626 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.9 t70 92.31 19.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.705 ' CE1' ' HB3' ' A' ' 87' ' ' PRO . 28.3 m-85 -54.37 166.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 75.4 mt-30 -109.89 154.65 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.55 147.4 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.585 ' HB ' HD12 ' A' ' 93' ' ' ILE . 58.5 t -135.41 83.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -90.53 144.06 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.543 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 4.8 mp -95.52 149.46 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.502 ' N ' HG22 ' A' ' 135' ' ' ILE . . . -93.67 107.18 3.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.614 ' CG2' ' O ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -116.6 19.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.461 ' HA3' ' N ' ' A' ' 99' ' ' LEU . . . -58.49 -154.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.8 OUTLIER 78.18 81.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.24 13.11 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.55 1.816 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -79.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.565 1.824 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 144' ' ' LYS . . . 178.83 79.03 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.925 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.58 26.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 142' ' ' GLY . 0.8 OUTLIER -95.64 -79.53 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.939 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.48 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 1.0 OUTLIER -149.62 97.25 3.52 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.5 Cg_endo -74.86 -60.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.453 1.765 . . . . 0.0 111.073 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.95 -42.84 80.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -59.45 -42.17 91.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -77.28 -27.71 53.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 146' ' ' PRO . 0.5 OUTLIER -69.16 -30.74 47.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.374 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.504 HD22 ' CE2' ' A' ' 17' ' ' TYR . 13.7 mt -83.24 7.86 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 4.9 tp10 -109.65 -117.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 6.0 t-20 152.08 144.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.761 ' O ' ' N ' ' A' ' 156' ' ' PRO . 0.0 OUTLIER -79.03 39.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.68 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -6.42 -58.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.761 ' N ' ' O ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -78.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.707 ' HB1' ' CD2' ' A' ' 154' ' ' PHE . . . -44.34 -29.67 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.647 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -78.47 -37.35 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.002 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -57.93 -45.67 86.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -77.77 -33.85 52.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.655 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 78.9 mt-10 -75.08 -38.28 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -52.47 -52.78 60.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.002 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.93 -26.45 11.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.655 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.6 m -64.58 -58.05 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.582 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -69.0 -54.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.231 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.478 ' SG ' ' O ' ' A' ' 162' ' ' VAL . 61.5 m -43.61 -44.0 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.06 -42.4 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.409 ' O ' HG23 ' A' ' 188' ' ' VAL . 0.1 OUTLIER -67.35 -46.87 72.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -66.94 -36.42 82.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.44 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -68.02 -43.94 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.504 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -58.22 -42.66 86.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.39 -52.22 54.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -56.68 -48.27 78.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -63.13 -37.97 89.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.455 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 3.6 tt -55.64 -44.62 77.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 9.2 mt -73.55 -27.84 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.94 -41.84 97.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -150.76 -71.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -155.96 176.33 33.47 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.41 ' HB3' ' HG ' ' A' ' 176' ' ' LEU . 8.1 ptp -89.14 -15.38 33.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.0 OUTLIER -46.41 -48.12 46.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.93 -39.1 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.581 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.52 -38.34 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.599 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.32 -39.56 65.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.507 ' C ' ' HB1' ' A' ' 190' ' ' ALA . 35.1 m-20 -79.54 -19.54 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.61 -53.17 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.581 ' N ' ' O ' ' A' ' 184' ' ' ALA . 18.9 t -87.19 -66.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.599 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.8 t-80 -53.48 -12.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.672 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.507 ' HB1' ' C ' ' A' ' 186' ' ' ASN . . . -117.45 67.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.672 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 19.4 m-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mtp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.496 0.189 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.32 80.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -158.87 95.22 1.8 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.264 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 152.5 40.97 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.59 126.97 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.702 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -104.33 143.74 32.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.498 ' CG1' HG13 ' A' ' 91' ' ' ILE . 3.7 m -131.32 140.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -135.45 120.4 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.41 110.39 3.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.588 1.18 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.44 98.55 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.67 -148.54 8.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 22' ' ' HIS . 20.9 t-20 -129.81 119.83 19.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.435 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.02 150.72 38.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.763 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 43.3 -164.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.408 1.067 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.6 104.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 0.781 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -56.39 -17.83 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 151' ' ' LEU . 10.7 t80 -68.05 -17.59 64.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -71.09 -36.36 72.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.0 tpt85 -44.88 -44.48 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.531 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 62.8 p -34.12 -34.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.618 ' C ' ' H ' ' A' ' 23' ' ' ASN . 2.2 mtt-85 155.89 -16.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' HD22 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -58.3 0.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.618 ' H ' ' C ' ' A' ' 21' ' ' ARG . 5.7 t-20 -117.36 30.14 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.601 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 1.0 OUTLIER -58.44 -55.92 28.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -37.46 -64.83 0.68 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.067 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 30' ' ' ASP . 6.1 t80 -69.76 -31.15 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.796 . . . . 0.0 111.021 179.93 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.601 ' HB ' ' HA ' ' A' ' 24' ' ' LEU . 2.3 t -60.82 -41.17 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.405 ' HB ' ' CD1' ' A' ' 93' ' ' ILE . 9.0 t -73.02 -51.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.6 69.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.3 m-20 -68.55 -49.53 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.21 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.516 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.36 -56.33 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.92 -55.83 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.91 -20.1 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.22 -29.59 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -42.68 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -20.92 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.4 55.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.39 1.056 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.82 174.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 61.3 1.62 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.632 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.1 -162.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -155.28 -165.41 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -166.71 142.47 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' ALA . 6.0 t-80 -136.11 179.06 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.42 -165.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.2 tpm_? 34.65 -139.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.547 ' CB ' HD22 ' A' ' 79' ' ' LEU . 84.7 p -72.53 52.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -128.99 -66.32 0.11 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' HIS . . . 43.83 -170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.614 0.832 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -72.09 143.25 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.475 HG11 ' CB ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -160.95 133.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.632 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -136.77 121.93 19.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 126.31 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.36 134.33 5.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 3.5 mtp180 -111.79 110.86 21.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 0.812 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 3.9 m -164.98 -176.89 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.49 17.63 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.259 179.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.16 38.86 38.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 tpm_? 177.22 158.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 1.6 t -74.46 168.82 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.1 pp -152.63 115.79 4.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.505 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 73.4 t -108.15 91.52 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' ALA . 1.1 tm? -86.22 110.93 19.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -126.1 173.98 8.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 1.4 pttp 173.14 119.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.601 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.13 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.1 mmt180 -80.08 -85.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -47.79 -15.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 108.338 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.635 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.5 m-85 60.3 -82.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.47 ' HA ' ' CD1' ' A' ' 10' ' ' LEU . 36.3 ttp -39.27 -90.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.689 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 26.3 m-20 -60.21 -44.45 95.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.55 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -48.88 -42.99 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.635 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.5 m -64.7 -54.8 25.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.624 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.3 -52.38 3.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.609 1.193 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.62 -54.63 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.1 mm-40 -43.01 -48.65 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.728 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.4 mt -68.0 -44.16 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.4 -67.54 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.92 -47.34 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.65 -42.18 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.728 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.78 -49.61 65.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -16.42 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.731 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.1 t80 -75.98 -37.56 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -77.06 -9.53 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.6 p 48.55 45.25 21.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.62 173.23 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -79.7 129.59 70.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 129' ' ' ASP . 18.0 Cg_endo -74.98 -1.17 10.87 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.71 -8.94 47.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 6' ' ' LEU . 9.6 p30 -101.79 -10.69 19.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.427 ' CG1' ' HB3' ' A' ' 6' ' ' LEU . 18.3 mt -85.76 134.65 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.512 ' HA ' ' O ' ' A' ' 131' ' ' GLN . 0.4 OUTLIER -136.26 115.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 8.8 p -100.63 129.97 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.245 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.578 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -107.13 145.76 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.573 ' CD2' HD13 ' A' ' 10' ' ' LEU . 7.9 t-160 -153.65 169.08 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.448 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p30 -104.93 143.7 32.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 135' ' ' ILE . 4.4 t0 -151.64 166.49 31.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.5 ' HB3' ' CG2' ' A' ' 150' ' ' VAL . 0.9 OUTLIER -98.66 114.02 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -108.39 -84.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.1 OUTLIER -138.16 -73.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -91.53 165.55 13.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -95.27 123.92 39.04 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 165' ' ' ILE . . . 98.61 52.7 1.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.603 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -135.26 126.97 29.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.461 HG21 ' CG1' ' A' ' 135' ' ' ILE . 1.1 pp -102.12 153.07 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -147.76 115.69 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.63 138.0 41.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.8 mtpt -149.54 179.5 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.509 HG13 ' N ' ' A' ' 109' ' ' GLY . 1.4 tp -129.79 -87.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.509 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -61.83 -79.7 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -56.04 94.9 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . -170.07 -149.37 6.32 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 43.91 64.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.92 -95.81 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -125.49 80.19 0.36 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.46 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 77.4 m-70 -137.79 126.13 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.23 -44.86 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.46 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -62.72 -58.66 11.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.634 ' O ' HG12 ' A' ' 121' ' ' VAL . 12.4 mt -52.16 -46.83 65.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.515 ' O ' HG11 ' A' ' 122' ' ' VAL . 5.9 ttt180 -62.08 -32.31 72.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 7.8 t -74.1 -27.4 60.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -72.92 -43.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.571 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.41 -44.86 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.421 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.82 -35.85 72.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.23 -45.02 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.569 ' CD2' ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -81.0 -22.26 39.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.81 4.54 76.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 77.72 122.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 21.1 tptt -167.84 30.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.5 m-20 88.36 117.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 43.0 p90 -167.56 160.18 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.512 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -130.11 166.59 19.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.412 ' NH1' ' HA3' ' A' ' 111' ' ' GLY . 0.7 OUTLIER -147.03 150.29 34.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 6.6 t -119.19 89.52 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.356 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 7.2 mtp180 -85.92 163.08 18.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.513 ' CD1' ' O ' ' A' ' 94' ' ' HIS . 2.0 mp -122.09 142.67 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.603 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.95 91.8 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.606 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -104.5 102.66 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' A' ' 101' ' ' PHE . . . -121.26 -125.39 3.18 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER 71.14 61.14 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -74.97 156.15 43.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.54 1.81 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.63 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.4 Cg_endo -74.93 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.47 25.96 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 73.97 3.05 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 0.81 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -58.16 -61.39 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.479 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -137.31 99.84 9.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.421 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.98 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.52 -43.85 88.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -57.17 -43.85 82.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.63 ' CD2' ' HD3' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -76.66 -25.07 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 111.02 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.5 ' CG2' ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.67 -43.24 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -110.7 35.16 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.594 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.0 OUTLIER -56.38 -81.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.643 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.3 t-20 148.69 50.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.61 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -66.65 27.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.643 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.76 -51.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.457 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.502 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.05 -71.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.61 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -45.15 -42.62 9.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.677 ' O ' ' N ' ' A' ' 162' ' ' VAL . 20.3 mt-10 -73.59 -30.91 63.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 1.038 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.04 -38.96 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 164' ' ' THR . . . -79.13 -36.23 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.391 179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.542 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 1.8 mm-40 -77.93 -33.9 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -55.69 -53.15 65.86 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 1.038 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -31.11 6.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.542 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -69.84 -49.55 51.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.576 ' CG2' ' N ' ' A' ' 166' ' ' CYS . 5.3 tp -72.85 -58.95 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.576 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 87.5 m -44.61 -47.76 10.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.0 tt0 -58.59 -47.76 83.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.603 ' CG ' ' CH2' ' A' ' 191' ' ' TRP . 1.1 tp60 -65.19 -42.68 93.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.65 80.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.35 -42.68 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.37 -44.63 78.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.555 ' CB ' HG21 ' A' ' 188' ' ' VAL . . . -58.29 -43.05 87.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.5 m -62.84 -52.19 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -60.08 -44.58 94.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -67.99 -42.79 80.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 176' ' ' LEU . 3.4 tt -50.2 -48.26 54.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -74.22 -28.27 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.89 -31.23 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -154.84 -72.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -163.75 173.02 39.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.5 1.125 . . . . 0.0 111.085 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.9 ppp? -84.27 -28.0 27.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -38.73 -51.62 3.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.96 -37.74 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.83 -38.53 91.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.626 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.05 -40.74 68.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.529 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 52.0 m-20 -78.06 -21.12 51.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -95.58 -52.37 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.653 ' C ' ' H ' ' A' ' 190' ' ' ALA . 41.8 t -89.11 -57.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.626 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 17.5 t-80 -67.16 21.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.653 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -140.15 78.63 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.603 ' CH2' ' CG ' ' A' ' 168' ' ' GLN . 14.0 m95 . . . . . 0 C--N 1.324 -0.51 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.5 0.191 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.62 91.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -173.7 75.69 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.5 Cg_endo -74.94 166.2 29.74 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.471 HD12 ' CD ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -121.49 135.97 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -108.85 144.34 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.534 ' CG1' HG13 ' A' ' 91' ' ' ILE . 1.4 m -131.58 140.96 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.38 125.36 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.01 113.72 4.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.63 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -91.8 117.26 29.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.53 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -135.08 -141.24 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.457 ' N ' ' HA ' ' A' ' 23' ' ' ASN . 1.1 m-20 -137.56 126.56 14.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.91 93.01 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.611 1.848 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 34.0 55.76 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.43 150.58 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.381 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -60.71 -14.65 22.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.493 ' O ' ' CG2' ' A' ' 20' ' ' THR . 0.2 OUTLIER -89.44 -17.99 27.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.0 -25.7 22.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.501 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.9 mmt180 -49.92 -43.24 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 17' ' ' TYR . 4.2 t -76.58 26.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.59 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 64.95 22.74 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.951 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.43 6.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.581 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.59 ' H ' ' C ' ' A' ' 21' ' ' ARG . 60.9 t30 -126.43 35.56 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 ' HA ' ' HB ' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -61.28 -48.67 80.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -47.77 -47.06 24.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.606 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 8.8 t80 -82.83 -31.85 27.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.468 ' CG1' HG12 ' A' ' 162' ' ' VAL . 2.1 t -66.87 -37.74 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.2 t -78.85 -52.43 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . . . -57.71 -34.88 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 4.2 t70 -74.18 -49.13 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.445 ' CD1' ' HD3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.63 -18.25 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -82.77 -26.7 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 6.5 mpt_? -99.38 -42.72 6.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -22.96 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.06 -4.02 82.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -32.05 148.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.7 60.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.641 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.46 -156.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -161.81 -161.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -136.79 145.49 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.52 145.06 35.33 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.41 -49.9 7.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.6 mtt180 -38.3 -46.9 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.42 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 3.5 m -92.17 -30.62 15.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.95 66.23 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -174.72 -172.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.595 ' OE1' ' CZ ' ' A' ' 40' ' ' PHE . 2.0 mm-40 -112.8 149.48 32.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG13 ' CB ' ' A' ' 63' ' ' ALA . 34.5 m -148.32 151.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.641 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -145.72 124.37 12.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.03 124.43 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.38 113.84 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -111.44 104.64 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -172.03 -159.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 40.68 29.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.0 48.1 87.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' CD ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER 168.27 154.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 0.748 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -81.46 165.75 20.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.5 pp -154.73 109.28 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.451 ' C ' HG22 ' A' ' 7' ' ' VAL . 39.7 t -102.56 95.24 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -88.28 115.32 25.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.486 ' CB ' HG13 ' A' ' 50' ' ' VAL . . . -125.8 171.35 10.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.21 112.94 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.689 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 -156.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.496 ' C ' ' N ' ' A' ' 68' ' ' TYR . 79.6 mmt-85 -83.17 -84.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -47.96 -18.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.333 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.753 ' O ' ' N ' ' A' ' 72' ' ' SER . 20.2 m-85 60.92 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER -37.5 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.65 -39.73 73.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -56.07 -36.62 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -72.26 -56.78 4.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.607 ' HA2' ' CG2' ' A' ' 121' ' ' VAL . . . -40.88 -52.1 3.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.46 -48.57 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.613 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.0 tm0? -45.64 -49.63 14.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.784 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.67 -46.68 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.93 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.02 -47.3 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.5 -40.2 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.784 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.06 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -15.38 60.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.96 -45.01 37.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.585 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 14.8 m-85 -82.11 -12.21 58.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.9 p 55.98 52.33 10.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 109.949 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.585 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.9 t -104.58 172.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' CB ' ' OD1' ' A' ' 89' ' ' ASN . . . -81.66 150.84 67.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.93 -30.43 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.35 2.53 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.589 ' O ' ' N ' ' A' ' 6' ' ' LEU . 17.7 m120 -101.98 -20.56 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.416 ' C ' HG22 ' A' ' 91' ' ' ILE . 7.4 mt -88.99 135.42 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.534 HG13 ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -135.81 122.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 133' ' ' VAL . 10.0 p -104.62 137.05 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.628 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -116.35 147.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.63 ' CD2' ' HG ' ' A' ' 10' ' ' LEU . 12.9 t-160 -155.78 164.01 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.511 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -95.92 143.48 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -161.86 155.05 20.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.48 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 0.6 OUTLIER -87.62 115.72 25.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 139' ' ' ARG . 0.4 OUTLIER -119.45 -65.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.498 ' O ' ' C ' ' A' ' 138' ' ' GLY . 4.0 mm? -126.67 -103.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 138' ' ' GLY . 19.6 mp0 -91.61 165.77 13.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' O ' ' CG ' ' A' ' 161' ' ' GLU . 4.0 m-85 -84.79 75.19 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.948 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.669 ' O ' ' CH2' ' A' ' 191' ' ' TRP . . . 159.59 41.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 135' ' ' ILE . 4.4 tmm_? -134.76 157.23 47.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 0.776 . . . . 0.0 110.244 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.479 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 0.9 OUTLIER -121.89 154.9 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 134' ' ' ARG . 5.9 ttt-85 -140.42 111.1 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.72 139.59 40.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.67 167.29 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -107.88 -55.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.521 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.7 64.05 0.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.79 -102.61 0.31 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 173.35 98.52 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -42.58 -30.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.215 -179.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.5 -114.64 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.57 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -116.37 93.78 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 19.1 m-70 -150.6 138.88 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.756 . . . . 0.0 109.621 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.4 m-80 -71.31 -58.77 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.32 -58.08 10.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.636 ' O ' HG11 ' A' ' 121' ' ' VAL . 8.0 mt -54.44 -52.62 61.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 6.3 ttm180 -58.49 -33.11 69.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.45 ' O ' ' HB1' ' A' ' 124' ' ' ALA . 2.7 t -70.18 -29.82 66.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.636 HG11 ' O ' ' A' ' 118' ' ' LEU . 0.3 OUTLIER -71.35 -43.2 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 126' ' ' GLY . 12.3 t -68.28 -32.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.55 -43.38 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.08 -45.98 75.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.577 HD13 ' CZ ' ' A' ' 130' ' ' PHE . 16.5 mt -81.31 -21.09 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.08 6.96 81.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 71.89 126.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -162.46 27.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 8.4 m-20 74.45 96.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.577 ' CZ ' HD13 ' A' ' 125' ' ' LEU . 84.3 m-85 -122.71 -177.5 3.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . 0.456 ' CG ' HD13 ' A' ' 108' ' ' ILE . 67.0 mt-30 -115.3 154.56 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 4.6 ttp-105 -138.8 165.43 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 25.2 t -154.21 86.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -90.06 141.69 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 103' ' ' ARG . 1.7 mp -98.16 142.88 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.49 106.69 3.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.63 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.2 pp -113.11 92.73 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.498 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 64.01 175.02 3.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.555 ' O ' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER -146.0 158.78 48.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 110.299 -179.947 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.48 ' HD3' ' CD1' ' A' ' 97' ' ' LEU . 18.5 Cg_endo -74.95 150.93 39.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -27.55 9.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 172.0 69.76 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.435 1.084 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 51.9 20.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.451 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 0.7 OUTLIER -158.92 95.53 1.77 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -57.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.55 80.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -58.27 -39.82 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 139' ' ' ARG . 0.1 OUTLIER -70.74 -28.75 64.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.951 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.483 ' O ' ' OG1' ' A' ' 20' ' ' THR . 0.5 OUTLIER -75.49 -27.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.414 ' HG ' HG13 ' A' ' 150' ' ' VAL . 35.9 mt -98.42 47.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.0 mm-40 -76.52 -108.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 3.0 t-20 150.99 45.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.657 ' CD2' ' CB ' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.17 30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.963 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -13.76 -54.76 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 110.373 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.826 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.03 -78.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.657 ' CB ' ' CD2' ' A' ' 154' ' ' PHE . . . -42.29 -29.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 162' ' ' VAL . 2.9 mm-40 -81.48 -42.32 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -73.41 -32.59 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.422 ' O ' ' OG1' ' A' ' 164' ' ' THR . . . -76.2 -40.54 52.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.602 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 32.3 mm-40 -77.92 -35.22 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.525 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 1.4 t -50.37 -50.84 68.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.0 -32.22 5.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.525 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.9 m -56.06 -53.98 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.602 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.1 OUTLIER -76.75 -41.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 170' ' ' ALA . 46.6 t -49.81 -51.23 41.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.339 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.29 -52.01 60.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.09 -48.24 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 165' ' ' ILE . . . -71.33 -32.2 68.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 166' ' ' CYS . . . -54.71 -46.9 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -71.55 -46.78 58.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.448 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -60.23 -48.98 79.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 173' ' ' THR . . . . . 0.513 HG21 ' O ' ' A' ' 170' ' ' ALA . 3.3 t -60.44 -39.94 89.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -56.24 -49.42 74.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.518 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -59.14 -46.72 87.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.584 ' CD1' ' O ' ' A' ' 180' ' ' GLY . 0.7 OUTLIER -47.34 -55.94 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 58.5 mt -64.71 -25.16 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.11 25.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . 0.584 ' O ' ' CD1' ' A' ' 176' ' ' LEU . . . -122.93 165.1 15.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.547 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 6.1 ptt? -151.46 -41.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 tp10 -60.66 -46.96 97.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.06 -36.17 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.757 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -61.89 -45.29 94.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.631 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.64 -36.93 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 57.4 t30 -76.77 -23.1 52.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.3 tpt180 -103.03 -55.98 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.757 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.5 OUTLIER -73.97 -58.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.631 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -72.18 -2.02 17.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 186' ' ' ASN . . . -142.54 99.89 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.669 ' CH2' ' O ' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.446 0.165 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.08 145.9 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -179.93 80.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.468 ' CB ' ' OG ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.96 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -131.02 164.47 25.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -118.92 140.72 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 91' ' ' ILE . 21.2 t -124.57 141.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -130.48 124.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.06 111.1 4.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.626 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 2.1 mp -82.07 96.06 7.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -108.67 -162.85 20.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 34.5 t-20 -139.67 120.17 9.37 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.96 3.91 5.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -59.33 -156.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.61 -96.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -48.6 -36.26 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CZ ' HD23 ' A' ' 151' ' ' LEU . 8.2 t80 -88.34 -24.44 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 -26.11 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.451 ' C ' ' H ' ' A' ' 21' ' ' ARG . 14.1 mmt180 -56.99 -15.42 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 70.5 p -74.37 12.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.604 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 80.71 5.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -56.14 -2.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.179 . . . . 0.0 109.622 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.604 ' H ' ' C ' ' A' ' 21' ' ' ARG . 6.1 p30 -97.41 6.39 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.391 1.057 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' CD1' ' HG3' ' A' ' 21' ' ' ARG . 1.4 tp -36.61 -61.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.537 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -41.44 -44.37 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASN . 14.6 t80 -82.02 -35.38 28.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 1.7 t -67.38 -42.47 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.01 -36.63 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -63.88 -47.36 80.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.596 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 57.3 t0 -66.76 -43.14 84.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.514 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.03 -56.39 16.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 8.8 mt -57.11 -59.07 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -60.29 -13.47 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.24 -21.22 19.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -38.79 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.72 -21.18 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.93 -9.32 78.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 52' ' ' THR . . . -83.66 145.4 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.48 64.27 1.25 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.611 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 1.1 t80 -51.61 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -169.72 -168.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.706 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -134.42 152.47 51.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.555 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 10.1 t-160 82.97 -42.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.03 179.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt180 89.82 -71.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.93 32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.57 57.15 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -179.15 172.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.706 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.2 tt0 -86.37 151.33 23.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.517 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 62.1 t -155.27 155.1 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.611 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -168.07 110.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.54 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -63.23 164.58 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 110.336 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -150.26 120.92 1.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.12 116.56 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER 171.37 178.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 60.92 13.15 4.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.62 33.88 37.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 55' ' ' SER . 6.4 tpm_? -179.04 152.85 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -81.94 173.19 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -161.33 126.34 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.27 103.21 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.52 ' CD1' ' HB3' ' A' ' 29' ' ' ALA . 1.5 tm? -90.04 113.33 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.467 ' CB ' HG23 ' A' ' 50' ' ' VAL . . . -123.96 168.41 12.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.52 ' CD ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -177.82 117.89 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.708 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.96 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' C ' ' N ' ' A' ' 68' ' ' TYR . 30.0 mmt180 -79.5 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -46.37 -20.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 108.298 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.7 m-85 61.25 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 1.0 OUTLIER -37.99 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.06 -34.13 77.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -58.28 -41.68 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.4 t -68.86 -51.01 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.52 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -47.12 -51.23 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.51 -47.02 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.606 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 5.7 tp60 -46.54 -49.97 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 26.4 mt -68.36 -44.85 83.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.63 -68.15 0.11 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.574 1.829 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.1 -40.19 63.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.757 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.73 -51.04 53.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -16.86 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.669 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -75.27 -44.59 45.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CE2' ' NH2' ' A' ' 45' ' ' ARG . 14.5 m-85 -85.99 -11.4 53.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.5 t 55.96 50.53 13.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.9 p -96.52 166.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.31 156.0 42.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.576 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.3 Cg_endo -75.02 -12.77 21.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.42 1.747 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.07 0.12 33.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 16.2 m-20 -120.1 -14.73 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.544 ' CD1' ' HB3' ' A' ' 6' ' ' LEU . 51.1 mm -87.47 122.32 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.471 ' CG1' ' O ' ' A' ' 91' ' ' ILE . 0.5 OUTLIER -128.97 115.06 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.53 ' CG2' HD11 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -101.76 117.69 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.921 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.638 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -100.84 141.81 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.626 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -157.8 165.65 34.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.54 179.962 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.418 ' CA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -90.27 142.16 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.0 OUTLIER -150.14 153.2 35.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.471 HD23 ' CG2' ' A' ' 150' ' ' VAL . 4.0 mp -85.89 114.41 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -109.69 -83.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.1 OUTLIER -136.23 -75.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -92.9 171.08 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.11 49.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.973 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -176.39 43.36 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.601 ' HG3' ' N ' ' A' ' 104' ' ' ILE . 9.6 tpt180 -130.17 161.79 30.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.601 ' N ' ' HG3' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -122.6 160.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.627 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.6 OUTLIER -151.18 94.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.578 ' CD2' ' C ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.36 143.75 32.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -154.15 174.81 14.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.2 OUTLIER -102.93 -88.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -131.09 42.1 1.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.01 -39.64 16.06 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.47 132.43 1.85 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -76.52 87.42 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -37.32 -91.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -58.13 -112.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 1.4 m170 158.5 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.607 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -55.16 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -74.21 -28.6 63.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.503 HD12 ' CA ' ' A' ' 114' ' ' GLY . 9.4 mt -64.38 -58.87 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.5 ttt180 -65.8 -35.29 80.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 m -62.94 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.479 ' CG2' ' HA2' ' A' ' 73' ' ' GLY . 16.1 t -71.15 -41.03 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.56 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 11.5 t -72.78 -26.01 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.0 60.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -82.49 -46.32 13.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.681 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 20.4 mt -79.43 -21.81 45.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 76.1 7.29 84.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.547 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 85.77 122.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.666 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 1.8 tppt? -143.73 10.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 8.7 t0 80.98 20.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.917 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . 0.681 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 73.0 m-85 -51.18 158.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -95.08 157.32 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.38 150.74 42.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.645 1.216 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 23.8 t -133.47 86.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.386 1.054 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.627 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 mtp-105 -88.81 144.77 26.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.538 ' HA ' ' HA ' ' A' ' 104' ' ' ILE . 3.5 mp -97.57 152.03 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -105.85 100.47 1.68 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.155 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.574 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.3 pp -118.79 98.78 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 109.233 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . -117.73 -108.71 2.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.654 ' N ' ' HD3' ' A' ' 140' ' ' PRO . 3.4 tpm_? 67.09 51.06 0.6 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.446 0.733 . . . . 0.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.654 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -75.06 155.0 42.6 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.441 1.758 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 141' ' ' PRO . . . . . 0.544 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.2 Cg_endo -74.92 -42.48 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.31 28.72 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.35 7.44 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 0.814 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -58.07 -59.88 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.48 ' HB3' ' CB ' ' A' ' 148' ' ' ALA . 14.7 m-20 -144.97 97.07 4.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.82 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.63 63.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 145' ' ' ASP . . . -55.37 -39.88 70.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . 0.551 ' CE1' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -76.32 -32.02 58.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.51 HG22 ' CD1' ' A' ' 137' ' ' ILE . 0.5 OUTLIER -63.87 -31.57 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.432 HD23 ' CZ ' ' A' ' 17' ' ' TYR . 46.4 mt -87.27 20.72 2.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.66 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.3 OUTLIER -59.36 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . 0.66 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.0 t30 141.61 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 154' ' ' PHE . . . . . 0.591 ' O ' ' N ' ' A' ' 158' ' ' GLU . 1.2 m-85 -70.98 28.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 155' ' ' THR . . . . . 0.576 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.65 -50.7 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.542 ' CD ' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.98 -73.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . 0.521 ' HB1' ' CD2' ' A' ' 154' ' ' PHE . . . -45.25 -43.25 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . 0.648 ' O ' ' CG1' ' A' ' 162' ' ' VAL . 1.2 mt-10 -69.98 -37.95 75.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 159' ' ' ARG . . . . . 0.933 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 1.1 mmm-85 -52.48 -39.42 61.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.643 ' C ' ' CD ' ' A' ' 163' ' ' PRO . . . -83.35 -27.71 29.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.6 ' O ' HG21 ' A' ' 165' ' ' ILE . 28.2 mt-10 -79.15 -37.76 37.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . 0.774 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 4.5 m -62.02 -35.32 20.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.933 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.0 Cg_endo -75.09 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 6.0 m -55.69 -46.76 77.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.432 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . 0.6 HG21 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.44 -51.49 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.925 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 166' ' ' CYS . . . . . 0.517 ' CB ' ' O ' ' A' ' 162' ' ' VAL . 40.2 m -51.0 -53.84 29.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.259 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 9.6 pt-20 -58.02 -47.85 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 168' ' ' GLN . . . . . 0.593 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 6.1 mm-40 -63.66 -39.71 95.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 169' ' ' ALA . . . . . 0.499 ' HB1' ' CD1' ' A' ' 104' ' ' ILE . . . -72.39 -41.24 66.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.31 70.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.11 -41.13 77.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 172' ' ' ALA . . . . . 0.587 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -63.53 -38.27 90.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.6 m -63.89 -51.51 64.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.66 -43.54 85.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 175' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.5 OUTLIER -66.34 -35.97 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 176' ' ' LEU . . . . . 0.518 HD12 ' CB ' ' A' ' 181' ' ' MET . 6.4 tp -55.76 -54.37 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 70.0 mt -73.26 -20.05 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -64.29 -76.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -106.55 -72.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.32 9.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 181' ' ' MET . . . . . 0.518 ' CB ' HD12 ' A' ' 176' ' ' LEU . 14.0 ptt? -100.92 -17.18 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . 0.505 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -42.33 -51.74 10.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.565 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.99 -44.21 90.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.9 tt0 -67.5 -37.83 83.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . 0.434 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.8 -24.27 36.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -97.83 -57.5 2.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 188' ' ' VAL . . . . . 0.779 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -67.37 -48.23 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -82.29 15.23 2.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 190' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -74.83 -44.45 49.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 191' ' ' TRP . . . . . 0.609 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 17.7 p90 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HA ' ' HG3' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -75.0 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -135.08 141.7 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.373 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -114.68 141.49 47.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.697 HG13 ' CG1' ' A' ' 91' ' ' ILE . 16.1 t -126.85 143.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.646 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.71 120.91 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.81 109.13 3.78 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.443 1.089 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -95.42 117.03 29.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -140.54 -144.99 4.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' HIS . 40.1 t-20 -136.12 129.08 17.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.557 1.82 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.67 -110.48 1.09 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -176.69 -136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m120 57.83 -80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.664 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -75.51 -17.38 60.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.68 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -71.11 -25.07 62.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 109.308 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.784 ' HG3' HG23 ' A' ' 155' ' ' THR . 0.5 OUTLIER -57.72 -31.78 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 p -76.86 35.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.61 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.7 mmp_? 58.6 14.24 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.4 t-160 -66.25 9.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.7 ' O ' HG23 ' A' ' 27' ' ' VAL . 4.1 t-20 -130.62 41.22 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -63.41 -49.88 72.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.71 -46.36 67.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -79.18 -25.78 42.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.727 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.3 t -73.67 -42.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -37.93 37.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.596 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -64.46 -45.06 89.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' PHE . 1.4 m-20 -64.17 -45.65 87.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -56.46 -60.65 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.64 -24.56 63.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -75.76 -54.37 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.56 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -53.77 7.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.75 93.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -9.51 77.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.17 144.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 85.71 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.851 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 74.3 m-85 -61.6 -179.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -157.35 -165.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -152.05 118.88 5.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 9.6 t-160 -176.07 -127.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' H ' ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 69.93 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -45.6 -26.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.645 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -77.85 -49.69 13.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.053 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.52 54.37 1.34 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -135.46 -179.62 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 2.6 tp10 -84.91 149.34 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.626 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.8 p -174.72 167.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.851 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -169.95 146.96 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.58 151.31 21.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -146.53 131.04 3.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -107.42 131.06 54.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 110.297 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 170.46 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.761 ' HA ' HG23 ' A' ' 177' ' ' ILE . . . 43.66 28.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 59.52 42.17 97.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HG3' ' HA ' ' A' ' 4' ' ' PRO . 5.3 tpm_? -176.98 155.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.87 165.98 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 1.4 pp -145.09 126.0 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 6' ' ' LEU . 14.3 t -108.9 98.57 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.626 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -96.49 113.23 24.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.503 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -121.75 169.72 10.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.62 116.84 0.15 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.89 -156.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.7 mmt180 -88.89 -87.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -42.43 -24.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.306 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 72' ' ' SER . 25.2 m-85 62.56 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.7 ttt -28.68 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.11 -36.19 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 74' ' ' ARG . 2.2 mt-10 -59.11 -33.15 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.884 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.2 t -76.5 -53.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.897 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -44.68 -50.91 8.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.977 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.25 -49.24 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -44.77 -49.71 10.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.924 ' CG2' HD11 ' A' ' 125' ' ' LEU . 4.9 mm -68.01 -46.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.32 -68.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.977 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.95 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.74 -39.44 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.796 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -50.44 57.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -16.56 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -76.95 -43.15 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.701 ' HB3' HG23 ' A' ' 85' ' ' VAL . 9.0 m-85 -87.32 -17.11 33.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.3 p 55.13 53.05 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.701 HG23 ' HB3' ' A' ' 83' ' ' TYR . 61.7 t -94.17 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.551 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -90.34 164.34 27.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.5 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.2 Cg_endo -75.03 -33.96 4.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.5 0.86 15.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.479 ' HA ' HD23 ' A' ' 5' ' ' LEU . 81.4 m-20 -108.91 -28.74 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 47.3 mt -88.52 132.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.896 HG13 HD11 ' A' ' 93' ' ' ILE . 1.1 pt -134.64 118.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.911 ' C ' HD13 ' A' ' 93' ' ' ILE . 12.9 p -102.09 123.76 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.99 HD12 ' HB ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -98.53 141.86 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.907 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -157.34 178.55 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.487 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -108.91 145.41 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.1 t0 -155.81 153.98 30.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.929 HD22 HG21 ' A' ' 150' ' ' VAL . 1.0 OUTLIER -91.94 116.2 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 138' ' ' GLY . 29.3 t0 -118.62 -60.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 138' ' ' GLY . 6.6 mt -132.81 -105.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.78 176.66 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.4 ' O ' ' CD ' ' A' ' 161' ' ' GLU . 3.0 m-85 -91.64 70.31 5.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.0 40.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.696 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -132.85 164.82 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.819 ' CG2' HD11 ' A' ' 165' ' ' ILE . 1.8 pt -121.97 164.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.7 tpt180 -149.12 97.72 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.216 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.878 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.59 127.49 52.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -147.8 177.97 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.864 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -105.93 -83.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -65.3 -53.74 31.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -47.15 129.14 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.14 -163.44 37.15 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 51.0 80.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.69 49.83 0.86 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 106.72 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.83 129.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.589 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.471 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 25.3 m120 -55.45 -42.78 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.01 -59.49 10.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 10' ' ' LEU . 11.5 mt -53.79 -46.37 71.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.535 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.65 -31.87 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 44.5 t -72.45 -27.74 62.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.897 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.82 -42.59 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -63.98 -43.54 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.404 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -73.04 -36.29 66.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.54 -47.15 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.924 HD11 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -82.21 -20.94 36.76 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.16 3.89 88.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 68.38 121.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 130' ' ' PHE . 3.3 tmtt? -141.13 13.99 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.864 ' O ' HD11 ' A' ' 108' ' ' ILE . 3.4 t70 83.82 19.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.713 ' CE1' HD22 ' A' ' 125' ' ' LEU . 80.6 m-85 -46.68 162.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.738 ' HG3' HD13 ' A' ' 108' ' ' ILE . 72.3 mt-30 -94.44 156.45 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.81 149.29 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.99 ' HB ' HD12 ' A' ' 93' ' ' ILE . 64.3 t -132.29 85.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -89.07 145.02 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.907 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.5 mp -96.15 149.91 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -94.17 94.53 1.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.81 HD11 HG22 ' A' ' 150' ' ' VAL . 1.4 pp -106.48 94.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.37 92.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' A' ' 152' ' ' GLU . 0.8 OUTLIER -76.16 -21.79 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.052 . . . . 0.0 110.957 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.929 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -82.22 -26.17 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.664 HD13 ' HE1' ' A' ' 17' ' ' TYR . 40.6 mt -103.3 50.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 28.2 mt-10 -77.39 -105.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.61 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.1 t30 157.07 51.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.809 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -69.29 29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.784 HG23 ' HG3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -20.14 -52.8 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.71 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.99 -70.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.5 1.789 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.809 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.87 -39.57 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 162' ' ' VAL . 8.8 mm-40 -74.35 -32.77 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.016 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.37 -44.22 88.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.699 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.73 -34.03 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 1.001 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.8 mm-40 -74.74 -37.05 62.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.643 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -54.24 -52.11 71.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.016 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -25.96 11.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.586 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -64.02 -59.81 4.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.001 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.82 -53.4 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.742 ' N ' HD13 ' A' ' 165' ' ' ILE . 61.6 m -44.76 -46.41 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 108.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.4 tt0 -62.06 -44.73 96.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.179 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.574 ' O ' HG11 ' A' ' 188' ' ' VAL . 0.0 OUTLIER -66.24 -47.95 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.53 77.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -62.17 -40.96 97.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 2.0 m-20 -68.11 -44.49 76.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.984 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.74 -41.38 86.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.8 m -63.98 -52.21 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -57.12 -48.25 79.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.7 -38.51 90.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 176' ' ' LEU . 5.0 tt -55.5 -44.51 76.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.761 HG23 ' HA ' ' A' ' 56' ' ' ALA . 84.7 mt -74.73 -26.08 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.99 -41.25 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.87 -72.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.443 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.59 176.38 35.51 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.566 1.166 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -87.7 -19.96 26.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 0.733 . . . . 0.0 110.994 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.549 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -45.51 -48.58 36.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.1 -39.09 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -63.23 -37.15 86.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.582 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -72.92 -40.56 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.789 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 25.3 t-20 -78.57 -21.21 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.2 ttt-85 -95.62 -52.84 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.984 HG21 ' HB2' ' A' ' 172' ' ' ALA . 16.8 t -88.26 -59.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.582 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.0 t-80 -66.64 22.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.653 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.38 -33.47 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.679 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.444 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 164.75 32.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.508 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -130.8 139.24 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.571 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -109.33 144.63 37.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.952 ' HB ' HD22 ' A' ' 62' ' ' LEU . 24.3 t -131.53 144.55 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG11 ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.93 119.67 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.36 109.77 3.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.994 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.02 101.6 13.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.86 -144.09 7.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -132.49 122.42 17.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.453 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -74.99 -160.38 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -33.79 102.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB1' ' CD2' ' A' ' 17' ' ' TYR . . . -173.94 106.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -52.73 -22.84 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.857 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -81.71 -19.63 41.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.073 . . . . 0.0 110.956 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -52.47 -24.68 8.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -58.57 -12.03 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.217 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 17' ' ' TYR . 70.0 p -75.59 26.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.596 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.2 mtp180 69.03 -0.97 2.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.439 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -65.92 7.91 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 62.0 t30 -124.49 29.52 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.766 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -51.36 -43.37 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -50.33 -60.95 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 1.4 t80 -78.07 -20.54 52.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 0.787 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' ASN . 9.6 t -74.28 -38.78 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.578 HG23 HD12 ' A' ' 24' ' ' LEU . 2.3 t -78.24 -51.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.86 73.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 32.3 t0 -69.17 -49.38 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -51.39 -55.33 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.61 -53.42 54.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.78 -25.9 66.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -71.33 -34.81 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -92.29 -45.17 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -170.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -93.51 36.18 3.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.636 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -22.7 121.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -161.53 67.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 1.0 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 1.2 p90 -139.76 -157.81 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -156.38 -164.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -123.15 124.5 43.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.468 ' HB2' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.06 143.26 44.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -97.19 -58.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.8 ttt180 -37.8 -38.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 1.008 ' CB ' HD11 ' A' ' 79' ' ' LEU . 99.3 p -94.95 -49.34 5.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.89 66.2 0.96 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -172.02 164.8 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.7 mm-40 -71.31 144.51 49.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 19.3 m -140.84 109.49 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.0 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.87 111.12 18.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 126.45 31.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.05 124.04 5.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtm105 -140.89 95.27 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.9 -168.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.82 20.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 70.74 43.42 59.49 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HD2' ' CD1' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 176.39 154.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -80.49 -178.88 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 175.28 103.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 6' ' ' LEU . 25.2 t -99.01 110.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.952 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -97.79 106.34 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' C ' ' CD ' ' A' ' 64' ' ' LYS . . . -126.92 166.25 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.519 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 179.51 124.71 0.22 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -157.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.409 1.742 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 55.2 mmt-85 -79.14 -84.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.656 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -45.57 -20.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 62.26 -81.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.841 ' CA ' HD13 ' A' ' 10' ' ' LEU . 7.0 ttm -35.99 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.073 . . . . 0.0 111.058 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.661 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 52.7 m-20 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.656 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.2 OUTLIER -50.93 -44.86 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -65.86 -49.47 68.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.885 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -43.21 -52.3 6.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.93 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.47 -53.52 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.534 ' HB2' ' HG3' ' A' ' 65' ' ' PRO . 10.3 mm-40 -44.09 -48.92 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.51 -45.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.56 -68.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.93 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.97 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.008 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.72 -41.37 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.032 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.48 -48.0 68.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -17.61 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -74.79 -43.2 55.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.69 ' HB3' HG23 ' A' ' 85' ' ' VAL . 4.5 m-85 -79.62 -5.16 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.7 t 53.31 46.86 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' HB3' ' A' ' 83' ' ' TYR . 74.2 t -103.55 159.46 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -87.29 164.27 36.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.236 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.1 Cg_endo -75.11 -30.51 6.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.51 -4.93 12.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 6' ' ' LEU . 71.7 m-20 -111.49 -25.05 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 50.9 mt -90.67 133.27 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.803 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -135.64 140.7 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.242 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 132' ' ' ARG . 5.4 p -124.95 132.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.751 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -112.2 147.98 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.994 ' CE1' HD11 ' A' ' 10' ' ' LEU . 1.5 t60 -156.68 173.18 17.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.3 145.61 35.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.5 t0 -156.67 152.41 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.53 103.76 11.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -100.68 -76.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.454 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 3.6 mt -136.23 -80.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.3 mt-10 -92.0 166.91 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 5.1 t80 -96.21 99.43 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.46 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . 125.43 50.51 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.718 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -136.79 127.76 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.797 . . . . 0.0 110.36 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.79 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pt -92.06 153.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.3 ttt85 -144.04 111.61 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.69 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -106.49 143.15 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 ttmt -160.42 172.59 16.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.1 OUTLIER -131.45 -90.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.93 -22.51 6.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -39.75 -72.9 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 112.08 -175.6 17.32 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -88.39 91.87 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.55 -48.8 3.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.33 75.47 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.7 132.08 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -42.13 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.807 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.63 -60.36 8.89 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.571 1.169 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.42 -41.81 61.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.221 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.504 ' O ' HG12 ' A' ' 122' ' ' VAL . 4.3 ttt-85 -62.73 -34.49 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -74.39 -30.31 61.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.885 HG22 ' HA2' ' A' ' 73' ' ' GLY . 9.4 t -72.34 -41.92 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -68.07 -40.64 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.75 -36.81 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.31 -45.72 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 1.032 HD21 ' HB3' ' A' ' 80' ' ' ALA . 16.7 mt -84.79 -22.5 29.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 69.48 4.18 43.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.795 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -95.91 -151.28 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.412 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER 168.05 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -136.04 10.18 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.502 ' HE2' HG23 ' A' ' 122' ' ' VAL . 5.7 p90 -81.13 162.25 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 91' ' ' ILE . 46.9 mt-30 -88.88 156.55 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.236 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -142.82 150.09 39.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.751 ' HB ' HG22 ' A' ' 93' ' ' ILE . 49.0 t -133.72 86.38 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -90.26 144.84 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.384 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.982 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.9 mp -105.48 146.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.718 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -97.23 98.07 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.7 pp -107.99 84.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.53 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.417 ' HA ' ' HG3' ' A' ' 152' ' ' GLU . 1.4 t80 -77.08 -32.29 56.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -68.29 -27.71 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.13 36.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.82 ' O ' HG22 ' A' ' 20' ' ' THR . 35.6 mt-10 -106.81 -119.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.629 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 59.4 t30 166.22 96.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.812 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -71.98 34.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.009 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.64 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -14.68 -55.42 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.442 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.729 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.0 -75.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.812 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -44.9 -34.42 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.76 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -78.59 -32.47 47.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 110.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.974 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.58 -47.63 81.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.717 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.72 -34.51 52.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 1.031 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.5 tp10 -76.09 -37.57 58.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.76 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.3 t -52.15 -50.81 76.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.163 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.974 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.02 -28.13 9.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 13.6 m -64.64 -59.36 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.031 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.02 -54.66 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.756 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.7 m -45.46 -47.7 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -59.19 -45.32 91.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.484 ' O ' ' CG1' ' A' ' 188' ' ' VAL . 0.4 OUTLIER -65.8 -46.3 79.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.766 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -67.8 -38.38 83.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.82 -44.86 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 5.3 m-20 -67.22 -43.58 81.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.024 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.89 -39.45 81.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.1 m -63.78 -53.66 47.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.67 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.54 -35.79 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.67 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.72 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.83 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.2 tt -54.72 -39.92 68.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.412 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 8.2 mt -75.98 -34.16 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.499 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.3 OUTLIER -54.56 -63.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -128.97 -71.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.1 -179.51 27.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.169 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.576 ' HB2' HD21 ' A' ' 106' ' ' LEU . 2.5 ptp -92.41 -16.51 25.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.7 mp0 -51.32 -44.37 88.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.05 -38.33 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.86 -33.79 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.56 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.03 -41.47 64.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.581 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 19.5 t30 -78.25 -20.32 51.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.87 -52.24 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.024 HG21 ' HB2' ' A' ' 172' ' ' ALA . 19.1 t -88.6 -58.58 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.56 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.7 t-80 -67.54 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.679 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -120.54 57.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.479 1.112 . . . . 0.0 108.02 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.01 161.77 38.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.81 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.498 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -127.06 138.37 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 7' ' ' VAL . 3.6 tt -105.65 148.27 27.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.857 HG13 ' CG1' ' A' ' 91' ' ' ILE . 14.1 t -131.99 142.93 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.838 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.19 122.15 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.97 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.582 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -84.32 101.91 12.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.15 -160.41 11.8 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 26.2 t-20 -138.3 120.57 10.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.0 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 43.07 -155.82 0.14 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 81.96 147.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.25 -10.08 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.938 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -84.72 -22.82 29.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -61.33 -34.63 75.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 21' ' ' ARG . 1.3 tpt180 -63.4 -22.22 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.938 HG22 ' O ' ' A' ' 17' ' ' TYR . 1.6 t -78.41 20.35 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.66 ' HE ' HG21 ' A' ' 162' ' ' VAL . 0.1 OUTLIER 70.64 14.38 7.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.592 ' HB2' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER -65.07 7.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 21' ' ' ARG . 9.1 t-20 -117.82 18.8 13.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.935 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -44.71 -42.55 7.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.21 -58.7 10.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.6 t80 -78.21 -21.55 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.8 t -73.82 -38.79 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.679 HG23 HD12 ' A' ' 24' ' ' LEU . 2.5 t -76.64 -53.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.018 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -56.94 -37.11 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 34' ' ' ALA . 8.3 t70 -68.7 -47.1 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -48.88 -56.69 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.8 mt -56.48 -52.38 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.759 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -60.48 -21.74 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -77.41 -36.16 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -42.79 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -84.5 15.31 3.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 67.97 -57.18 0.39 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.759 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 72.37 144.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 81.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 1.022 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -141.57 -153.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -162.14 -162.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.15 152.55 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -97.54 112.89 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.02 -59.56 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -38.15 -32.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 79' ' ' LEU . 1.1 p -94.84 -47.54 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.05 52.61 1.6 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -168.05 168.23 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 24.6 tp10 -82.99 151.39 25.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 4.2 m -143.56 115.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.022 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -117.77 111.46 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.22 126.77 31.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.82 129.07 5.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -140.11 98.75 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.806 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -167.61 -161.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 44.4 25.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 64.71 47.93 78.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.22 155.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.332 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 174.86 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -177.29 105.23 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' VAL . 2.7 t -98.87 109.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.018 ' CD1' ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -98.38 108.35 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -126.66 171.7 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.688 ' HE2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.19 127.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.667 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' C ' ' N ' ' A' ' 68' ' ' TYR . 32.6 mmt180 -84.39 -85.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.578 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -45.83 -21.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.745 ' O ' ' N ' ' A' ' 72' ' ' SER . 14.9 m-85 62.27 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.506 ' HG2' ' CA ' ' A' ' 117' ' ' GLY . 57.2 ttm -35.11 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.486 ' N ' ' HG2' ' A' ' 69' ' ' MET . 27.6 t-20 -63.99 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.379 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 1.6 mm-40 -56.8 -45.05 82.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 68' ' ' TYR . 31.7 t -67.02 -55.12 15.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.917 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.05 -54.77 3.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.962 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.73 -47.74 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.74 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.3 mm-40 -48.69 -47.72 40.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.777 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.34 -47.2 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.48 -67.06 0.1 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.453 1.096 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.962 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.47 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.41 -40.0 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.777 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.18 -50.36 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -15.76 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.689 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -77.43 -40.23 44.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.762 ' HB3' HG23 ' A' ' 85' ' ' VAL . 4.1 m-85 -79.34 -8.19 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 p 52.22 46.38 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.762 HG23 ' HB3' ' A' ' 83' ' ' TYR . 89.4 t -103.75 170.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.596 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -79.9 154.04 75.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 131' ' ' GLN . . . -77.46 0.86 21.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 6' ' ' LEU . 60.9 m-20 -99.69 -18.62 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 13.5 mt -89.22 137.27 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.857 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -137.32 118.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.838 HG22 ' CG2' ' A' ' 8' ' ' VAL . 27.5 t -103.1 131.09 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.049 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -108.58 143.09 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 1.034 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -158.28 177.78 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.38 143.89 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.705 ' O ' HD13 ' A' ' 137' ' ' ILE . 6.1 t0 -149.01 151.19 34.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.67 114.59 23.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -110.85 -84.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 -68.42 0.47 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.218 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.53 163.97 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -93.78 25.28 3.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -155.66 51.29 0.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.4 tmm_? -134.72 158.19 44.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.792 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.4 pp -122.45 156.98 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.0 ttm180 -142.15 103.09 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.823 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -109.17 132.05 54.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -147.49 179.08 7.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -109.58 -54.27 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.19 20.3 21.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -35.54 -58.57 0.88 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.11 137.83 4.15 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -44.92 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.406 ' N ' ' OE1' ' A' ' 112' ' ' GLU . . . 77.41 97.66 0.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 39.44 -148.21 0.15 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.419 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 14.0 m170 64.6 110.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.64 -36.79 77.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.506 ' CA ' ' HG2' ' A' ' 69' ' ' MET . . . -61.86 -61.0 7.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 121' ' ' VAL . 11.8 mt -50.39 -42.17 53.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.515 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.2 ttm105 -66.12 -33.24 75.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -74.57 -27.29 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.917 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.96 -43.17 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.64 -44.64 89.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.428 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.81 -37.84 76.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.72 -46.67 71.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 130' ' ' PHE . 16.0 mt -79.91 -20.79 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.06 5.33 84.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.87 131.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.727 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -169.76 32.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 7.0 m-20 60.25 96.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.794 ' CE2' HD13 ' A' ' 125' ' ' LEU . 59.7 m-85 -123.61 162.42 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.549 ' HB2' HG22 ' A' ' 91' ' ' ILE . 20.2 mt-30 -92.45 152.98 19.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -142.08 148.97 39.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 1.049 ' HB ' HG22 ' A' ' 93' ' ' ILE . 3.2 t -134.25 81.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.52 145.99 24.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.034 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.1 mp -94.66 149.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.2 85.8 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.137 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.714 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -108.07 94.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.55 83.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -30.43 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -65.72 -39.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.77 HD22 ' CE1' ' A' ' 17' ' ' TYR . 44.5 mt -90.09 39.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.498 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 2.1 tt0 -93.07 -115.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.602 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -175.32 54.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.203 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.775 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.1 OUTLIER -69.27 26.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.602 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -24.4 -51.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.678 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.95 -69.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.775 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.07 -44.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.653 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.38 -29.69 62.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -57.21 -44.91 84.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.66 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.68 -33.56 41.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.607 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.8 mm-40 -74.58 -35.59 63.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.66 HG21 ' HE ' ' A' ' 21' ' ' ARG . 1.3 t -57.13 -53.67 62.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.88 -22.23 15.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.585 1.834 . . . . 0.0 111.066 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.607 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.2 m -62.65 -59.35 5.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.716 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -74.79 -44.19 45.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.716 ' N ' HD13 ' A' ' 165' ' ' ILE . 32.2 m -48.95 -50.44 35.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.9 tt0 -63.75 -48.58 76.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -43.14 99.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.792 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -73.01 -33.25 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -49.81 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -69.74 -40.99 75.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.064 ' HB1' HG12 ' A' ' 188' ' ' VAL . . . -64.43 -35.85 82.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 169' ' ' ALA . 22.8 m -65.64 -51.13 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.0 OUTLIER -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -66.21 -41.06 90.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.708 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.9 tt -54.0 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 56' ' ' ALA . 17.9 mt -79.49 -18.01 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -62.6 -58.86 6.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -72.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.95 -168.68 20.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.74 -17.69 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -49.77 -47.62 79.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.03 -37.29 2.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.869 ' O ' HG13 ' A' ' 188' ' ' VAL . . . -67.07 -44.77 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 1.008 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 51.4 t30 -83.79 -20.29 33.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.84 -57.28 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.064 HG12 ' HB1' ' A' ' 172' ' ' ALA . 0.8 OUTLIER -71.06 -50.6 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.61 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.09 15.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 1.008 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -94.38 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.518 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 161.51 38.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -132.26 135.93 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -120.23 138.32 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.855 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -126.89 143.26 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.781 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -137.35 119.21 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.65 108.92 3.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.081 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.13 109.94 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -128.88 -139.48 4.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' HIS . 18.6 t-20 -135.31 125.85 17.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 41.65 -149.37 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.83 131.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.2 -9.77 26.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.657 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.9 OUTLIER -68.61 -16.92 64.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.38 64.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.472 ' C ' ' H ' ' A' ' 21' ' ' ARG . 21.4 mmt180 -50.26 -26.94 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 19.6 p -76.34 16.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.772 ' HG3' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 76.17 12.4 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -64.06 6.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.617 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.0 t-20 -118.74 17.75 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.396 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.772 HD22 ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -40.77 -55.22 2.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.628 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -40.74 -60.2 2.19 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.417 1.073 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 3.5 t80 -75.02 -29.78 60.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -61.59 -42.95 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.581 HG22 ' SG ' ' A' ' 166' ' ' CYS . 2.4 t -77.46 -38.27 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.791 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.99 -45.24 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.2 m-20 -66.32 -44.46 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -49.52 -58.08 5.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -50.05 73.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.657 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.71 -26.52 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -70.85 -39.69 72.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -44.26 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 HD12 ' H ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -68.66 -168.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.653 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -95.14 33.81 5.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -17.22 120.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -163.82 74.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 1.042 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -140.76 -155.93 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -155.94 -164.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -125.05 125.1 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.498 ' ND1' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -57.1 109.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.49 -55.96 10.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -48.18 -51.09 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.858 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -69.6 -48.77 58.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 110.059 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.44 55.23 1.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -169.95 165.47 9.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 7.0 tp10 -76.55 149.9 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 4.7 m -147.19 112.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.042 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.27 107.98 14.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.708 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.2 125.9 44.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.53 -160.95 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -141.0 109.5 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.504 ' N ' HD23 ' A' ' 60' ' ' LEU . 4.8 m -149.32 177.41 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 1.072 ' CB ' HG21 ' A' ' 177' ' ' ILE . . . 53.79 18.48 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.28 41.21 46.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HB3' HD12 ' A' ' 5' ' ' LEU . 1.2 tpm_? 175.27 158.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 p -55.41 151.08 10.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 55' ' ' SER . 1.6 pp -140.74 122.39 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.708 HG22 HG22 ' A' ' 52' ' ' THR . 24.4 t -100.52 99.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.791 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.4 tm? -96.87 105.79 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -120.26 177.27 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HE2' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 175.06 117.62 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.706 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 -157.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 61.1 mmt-85 -79.68 -84.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.589 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.58 -18.34 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 108.318 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 23.3 m-85 61.43 -82.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -40.47 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.668 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.5 m-20 -68.04 -47.21 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.61 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 3.0 tp10 -48.46 -43.24 34.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 47.3 t -64.79 -55.19 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.861 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -38.83 -52.14 2.54 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.963 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.88 -54.01 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.268 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.61 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 31.9 mm-40 -44.48 -48.35 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.851 ' CG2' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -68.48 -46.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.77 -66.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.963 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.06 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.858 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.99 -41.32 67.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.916 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.43 -50.0 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.97 -16.85 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.69 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -76.22 -38.61 56.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.19 -2.08 39.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 51.33 45.93 27.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.762 HG22 HD21 ' A' ' 89' ' ' ASN . 0.5 OUTLIER -127.17 163.3 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.452 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -88.86 155.84 49.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.7 Cg_endo -74.98 -6.07 17.6 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -15.93 62.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.762 HD21 HG22 ' A' ' 85' ' ' VAL . 8.7 p30 -105.17 -16.33 14.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.564 HG12 HD22 ' A' ' 6' ' ' LEU . 12.6 mt -85.98 132.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.855 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.69 120.67 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.781 HG22 ' CG2' ' A' ' 8' ' ' VAL . 58.3 t -103.03 131.68 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.912 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -111.97 145.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.902 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.4 t60 -151.53 177.13 10.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.94 140.12 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.247 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 135' ' ' ILE . 6.3 t0 -149.98 169.69 20.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.6 OUTLIER -107.37 100.99 10.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' CG ' HD12 ' A' ' 99' ' ' LEU . 31.6 t0 -92.98 -72.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.594 HD12 ' CG ' ' A' ' 98' ' ' ASP . 3.6 mp -131.59 -90.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 138' ' ' GLY . 30.5 mp0 -88.78 173.47 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -87.2 55.61 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 176.92 48.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.713 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -134.53 160.79 36.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.249 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.845 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.5 pp -122.63 162.93 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.19 105.36 3.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.824 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.77 131.27 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 132' ' ' ARG . 4.8 tppt? -154.12 164.92 37.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.721 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.3 tp -95.11 -86.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.721 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -64.27 -39.71 97.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 40.3 -153.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -135.86 38.08 1.82 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.429 ' OE1' ' NH2' ' A' ' 119' ' ' ARG . 1.2 mt-10 58.02 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 114' ' ' GLY . . . -65.68 -61.04 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' ND1' ' A' ' 115' ' ' HIS . . . -52.74 -105.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.441 ' NE2' ' CE ' ' A' ' 69' ' ' MET . 2.1 p-80 178.29 -106.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' SER . 0.4 OUTLIER -65.61 -38.35 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.14 -64.11 4.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.752 ' O ' HG12 ' A' ' 121' ' ' VAL . 1.9 mt -52.81 -50.39 63.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.429 ' NH2' ' OE1' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -59.18 -33.22 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 116' ' ' ASN . 33.1 t -70.09 -29.67 66.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.861 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.76 -41.89 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 118' ' ' LEU . 16.5 t -68.28 -32.87 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.06 56.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -67.2 -44.88 78.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.916 HD21 ' CB ' ' A' ' 80' ' ' ALA . 2.7 mt -79.83 -21.02 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.37 3.31 82.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 76.17 129.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.423 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.53 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 2.0 tppt? -171.61 33.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.1 m-20 81.25 101.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -131.51 152.75 50.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.415 ' HB2' HG22 ' A' ' 91' ' ' ILE . 61.2 mt-30 -100.95 156.14 17.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.058 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -143.23 150.06 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.912 ' HB ' HG22 ' A' ' 93' ' ' ILE . 19.7 t -138.3 87.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.8 mtp180 -91.52 144.18 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.902 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.6 mp -99.3 150.26 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 98' ' ' ASP . . . -107.88 95.98 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -107.78 71.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.54 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -25.4 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -77.59 -27.91 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.657 HD13 ' HE1' ' A' ' 17' ' ' TYR . 52.7 mt -100.18 45.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 14.2 mt-10 -78.54 -100.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.596 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 12.5 t30 154.05 47.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.821 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -71.43 28.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.42 -52.88 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.685 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -75.0 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.821 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.26 -39.96 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.664 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.1 mt-10 -74.96 -31.35 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -58.69 -44.79 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.705 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.47 -34.78 54.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.2 mm-40 -75.19 -37.02 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.714 HG21 ' NE ' ' A' ' 21' ' ' ARG . 1.8 t -53.32 -51.8 72.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.1 Cg_endo -75.07 -27.42 9.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.575 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.6 m -60.15 -58.11 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.9 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -71.98 -46.31 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.9 ' N ' HD13 ' A' ' 165' ' ' ILE . 34.9 m -51.3 -48.99 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -61.01 -45.55 94.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.582 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 3.6 mt-30 -67.51 -41.59 84.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 1.184 . . . . 0.0 110.253 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.73 -31.06 64.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -63.2 -49.19 75.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 4.5 m-20 -70.69 -41.89 71.4 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.949 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -65.24 -37.98 88.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.1 m -63.74 -49.76 71.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.529 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.7 pt-20 -56.41 -48.41 77.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.529 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.7 tp -65.9 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.564 ' O ' HD23 ' A' ' 176' ' ' LEU . 0.2 OUTLIER -53.58 -52.02 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 1.072 HG21 ' CB ' ' A' ' 56' ' ' ALA . 2.4 mt -77.99 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.427 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 6.8 tm-20 -66.63 -32.75 74.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -116.54 -71.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 176' ' ' LEU . . . -177.38 -52.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 163.5 -23.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -50.28 -47.0 83.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 17.9 Cg_endo -75.1 -37.29 2.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.557 1.819 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.803 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.6 -43.56 80.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 5.2 tt0 -67.49 -36.98 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 1.028 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 61.4 t30 -81.85 -23.3 36.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 0.2 OUTLIER -100.99 -57.75 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.949 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.46 -47.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.593 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.33 12.49 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.537 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 1.028 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -86.91 -69.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.582 ' CH2' ' HB3' ' A' ' 168' ' ' GLN . 1.6 p90 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.444 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.99 179.47 6.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -127.45 167.81 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.583 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -126.59 138.34 53.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.905 HG13 ' CG1' ' A' ' 91' ' ' ILE . 6.8 t -127.86 142.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.923 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.02 120.9 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.498 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -93.57 109.98 3.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.673 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.57 107.25 19.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.77 -146.57 5.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 21.3 t-20 -136.17 128.47 17.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.97 -170.51 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.643 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -34.6 120.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 166.98 143.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.14 -7.84 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 1.013 ' CD2' HD11 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -82.79 -18.48 40.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.3 72.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.511 ' C ' ' H ' ' A' ' 21' ' ' ARG . 22.1 mmt180 -55.89 -30.38 61.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 1.097 HG21 HD13 ' A' ' 151' ' ' LEU . 17.0 p -76.16 28.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.563 ' C ' ' H ' ' A' ' 23' ' ' ASN . 32.3 mmt-85 64.54 12.56 7.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 12' ' ' ASN . 2.7 t60 -68.52 11.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.662 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 t-20 -132.92 38.68 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.958 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -61.01 -45.32 95.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.99 -52.47 35.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.3 t80 -78.09 -26.15 47.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 23' ' ' ASN . 5.8 t -72.85 -39.47 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.663 ' CG2' HD12 ' A' ' 24' ' ' LEU . 40.9 t -76.9 -37.55 27.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -64.58 -47.4 78.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 m-20 -65.8 -41.81 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.54 -57.55 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 10.6 mt -57.86 -36.35 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -78.75 -14.62 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -88.95 -25.06 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -42.28 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.39 18.98 2.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.66 30.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -50.1 172.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.81 52.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.659 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.91 -164.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -151.97 -166.17 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.28 123.89 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.59 161.11 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 109.541 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -70.12 -164.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.5 ttp-105 36.86 -146.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.679 ' CB ' HD21 ' A' ' 79' ' ' LEU . 33.5 p -71.98 52.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -118.72 -55.08 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.172 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.3 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -72.72 142.92 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 27.8 m -147.29 117.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.659 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -119.12 113.66 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 125.52 29.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -120.29 99.62 0.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.118 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -111.91 130.84 55.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER 157.56 -171.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 44.09 31.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.27 47.4 91.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER 175.5 152.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 2.2 t -108.87 169.51 8.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.177 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.4 117.03 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.0 t -89.01 99.86 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.995 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -95.39 107.13 19.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.562 1.163 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 49' ' ' GLU . . . -126.86 170.85 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.45 130.06 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.704 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.99 -154.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 6.0 mmt180 -86.63 -86.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -43.7 -23.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.858 ' O ' ' N ' ' A' ' 72' ' ' SER . 18.8 m-85 63.15 -80.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.63 ' HA ' HD13 ' A' ' 10' ' ' LEU . 54.4 ttm -27.27 -92.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 69' ' ' MET . 4.6 m-20 -71.67 -33.25 68.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.9 mt-10 -60.36 -33.1 71.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.858 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -79.82 -47.55 15.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -53.16 -47.08 61.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.01 -46.98 21.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.5 tp-100 -45.7 -50.74 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.842 HG22 ' HB2' ' A' ' 80' ' ' ALA . 4.9 mt -68.85 -46.38 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.32 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.08 -45.56 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.679 HD21 ' CB ' ' A' ' 46' ' ' SER . 8.8 mt -54.95 -40.42 69.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 76' ' ' ILE . . . -67.71 -47.66 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.32 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.2 t80 -76.18 -44.41 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.463 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 19.7 m-85 -86.37 -12.84 48.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 t 56.91 53.16 8.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.851 HG12 ' ND2' ' A' ' 89' ' ' ASN . 1.2 t -100.08 157.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.581 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -84.2 153.63 62.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.607 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.9 -6.3 17.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.851 ' ND2' HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -109.84 -14.1 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 131' ' ' GLN . 3.2 mm -85.08 123.07 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.905 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -136.67 117.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.923 HG22 ' CG2' ' A' ' 8' ' ' VAL . 33.4 t -106.08 126.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.381 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.611 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 1.2 tt -105.88 144.59 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.993 ' O ' HD12 ' A' ' 135' ' ' ILE . 2.2 t60 -156.49 179.05 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.424 ' H ' ' CG ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -103.34 145.28 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -159.19 154.27 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.916 HD11 ' CG2' ' A' ' 150' ' ' VAL . 1.9 mp -85.54 103.82 14.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -102.57 -72.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.37 -85.49 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.6 mt-10 -86.16 167.94 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -89.17 31.7 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -163.33 53.21 0.3 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 136' ' ' GLY . 3.7 mmm-85 -138.21 160.57 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pp -118.51 161.61 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.11 111.55 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.837 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -111.26 131.93 54.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -147.77 170.45 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.79 HD13 ' HG3' ' A' ' 131' ' ' GLN . 0.3 OUTLIER -132.21 -86.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.608 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -47.73 -31.05 7.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.93 -46.97 1.26 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.63 -172.78 54.61 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -75.45 100.66 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.62 -61.21 4.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -171.0 84.38 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.522 ' CE1' ' OD1' ' A' ' 96' ' ' ASP . 1.0 OUTLIER -151.91 133.62 14.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.622 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -60.53 -42.96 97.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.49 ' HA3' HD22 ' A' ' 10' ' ' LEU . . . -64.43 -59.03 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 122' ' ' VAL . 10.9 mt -52.32 -45.31 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -60.7 -37.01 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -31.8 69.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.657 HG13 HD12 ' A' ' 125' ' ' LEU . 2.6 t -68.74 -44.27 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 118' ' ' LEU . 11.4 t -73.12 -26.65 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.47 64.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -86.52 -45.79 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.946 HD13 ' CE1' ' A' ' 130' ' ' PHE . 22.7 mt -78.75 -22.42 46.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.22 8.09 82.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.543 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 83.8 119.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.705 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 18.5 tptt -139.29 8.54 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.729 ' O ' HD11 ' A' ' 108' ' ' ILE . 15.2 m-20 85.74 16.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.946 ' CE1' HD13 ' A' ' 125' ' ' LEU . 67.3 m-85 -49.44 152.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.79 ' HG3' HD13 ' A' ' 108' ' ' ILE . 17.9 mt-30 -88.51 157.3 18.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.57 148.99 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.6 t -133.08 85.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -86.08 141.86 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 94' ' ' HIS . 1.4 mp -96.78 141.11 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -87.38 99.1 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.408 1.067 . . . . 0.0 110.986 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.5 pp -106.16 79.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.78 90.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.407 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 3.6 t80 -75.16 -20.91 59.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.916 ' CG2' HD11 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -79.71 -31.29 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 1.097 HD13 HG21 ' A' ' 20' ' ' THR . 0.4 OUTLIER -104.91 32.84 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.704 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 mm-40 -59.16 -101.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.704 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.2 t30 136.43 46.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.789 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -71.48 28.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.614 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.6 OUTLIER -18.96 -52.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.748 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -75.07 -73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.789 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.07 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.9 OUTLIER -73.52 -34.37 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 110.274 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.5 -42.25 87.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.746 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.11 -33.0 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.996 ' O ' HG22 ' A' ' 165' ' ' ILE . 2.0 tp10 -75.57 -38.11 59.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.543 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -53.53 -49.98 85.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.5 Cg_endo -74.99 -28.64 9.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.55 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -62.54 -56.12 20.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.996 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.21 -53.31 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.725 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -46.89 -48.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 0.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -61.03 -46.23 91.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.378 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 191' ' ' TRP . 1.4 tt0 -65.88 -45.97 80.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -70.83 -31.02 67.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 13.1 m-20 -68.59 -40.19 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.016 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -65.78 -36.24 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.8 m -64.37 -50.86 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -56.79 -47.02 81.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.241 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -66.21 -36.67 83.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.688 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.0 tt -52.81 -52.73 55.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 60.1 mt -74.58 -23.12 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -70.58 -30.18 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -114.71 -72.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 181' ' ' MET . . . 176.89 -46.0 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 160.26 -25.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 mt-10 -48.1 -50.23 56.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.633 ' HB2' HD23 ' A' ' 175' ' ' LEU . 18.4 Cg_endo -74.99 -36.21 2.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.801 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.16 -44.63 83.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.58 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.4 tt0 -66.67 -37.21 84.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.937 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 4.2 m-20 -81.67 -24.78 36.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.11 -58.13 2.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.016 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -63.84 -53.54 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -72.76 -17.21 61.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.937 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.29 96.13 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 168' ' ' GLN . 16.6 m95 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 108.061 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.03 168.42 24.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.2 mt -136.04 142.06 44.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -114.63 142.68 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.826 HG13 ' CG1' ' A' ' 91' ' ' ILE . 20.9 t -128.93 144.96 36.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.857 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.54 120.09 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.452 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -96.73 110.65 4.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.795 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.33 109.03 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -128.43 -144.74 5.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -135.76 125.3 16.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 127.31 10.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 44.18 -153.95 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 68.63 137.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.801 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -63.58 -12.38 32.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE1' HD13 ' A' ' 151' ' ' LEU . 0.3 OUTLIER -68.47 -17.47 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.036 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -31.67 69.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 21' ' ' ARG . 16.8 mmt85 -52.93 -36.57 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -74.32 36.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' C ' ' H ' ' A' ' 23' ' ' ASN . 20.5 mtt180 56.84 14.88 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -68.93 11.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.632 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.567 ' H ' ' C ' ' A' ' 21' ' ' ARG . 35.1 t30 -138.25 29.21 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.758 HD12 ' CB ' ' A' ' 95' ' ' ASP . 3.8 mt -50.68 -46.69 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.91 -54.61 11.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 25.5 t80 -79.32 -27.54 42.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 0.8 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.4 t -70.27 -40.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 93' ' ' ILE . 2.8 t -73.37 -52.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.976 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -53.05 -43.63 66.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.6 m-20 -66.17 -52.32 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.03 -54.26 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -56.05 -59.57 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.46 -14.6 30.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.616 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -87.76 -24.75 23.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.4 -40.87 7.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.044 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -74.39 -19.98 60.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 96.33 -35.86 4.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.556 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -28.25 146.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 93.92 2.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 1.164 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.27 -171.31 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -160.03 -164.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . . . -138.23 149.97 46.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.444 ' O ' ' O ' ' A' ' 44' ' ' LYS . 5.7 t-80 -129.37 112.18 13.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -38.49 158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 74.03 -149.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.481 ' C ' HD11 ' A' ' 79' ' ' LEU . 4.8 p -71.61 50.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.12 -57.59 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.931 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 52.02 -171.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.649 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 1.9 mt-10 -75.28 143.4 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.665 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.4 p -176.24 159.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.164 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -140.48 126.09 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.6 125.52 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.47 123.62 4.81 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.02 96.46 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 58' ' ' ARG . 51.7 p -176.75 -152.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 40.26 30.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 60.89 52.68 50.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 163.14 154.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.585 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -81.25 176.99 9.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.585 HD23 ' C ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -179.33 104.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.518 ' HB ' HD12 ' A' ' 6' ' ' LEU . 55.2 t -108.88 106.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.976 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -95.56 109.02 21.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -115.2 170.68 8.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.759 ' HZ1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 174.58 123.66 0.11 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.931 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.06 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.541 1.811 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 21.2 mmt180 -90.27 -87.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.589 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -47.51 -22.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 32.0 m-85 63.7 -79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.625 ' HA ' HD13 ' A' ' 10' ' ' LEU . 24.4 ttt -25.9 -98.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 69' ' ' MET . 8.6 m120 -68.59 -31.86 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.98 -35.4 76.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.9 t -75.81 -52.9 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -45.54 -49.34 11.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.98 -49.6 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.692 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 1.2 mm-40 -46.6 -48.94 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 27.0 mt -67.74 -44.24 85.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.5 -68.41 0.16 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.443 1.09 . . . . 0.0 110.977 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.03 -47.67 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.74 -40.32 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.752 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.78 -50.02 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -17.4 61.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.6 t80 -74.63 -44.77 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.473 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.8 m-85 -83.1 -11.05 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 56.03 51.85 11.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 2.0 t -97.29 168.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.412 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -91.05 156.5 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.604 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.2 Cg_endo -74.98 -34.94 3.46 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.12 -6.85 25.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.569 ' HA ' HD23 ' A' ' 5' ' ' LEU . 72.7 m-20 -104.82 -23.79 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 42.8 mt -88.22 134.73 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.826 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -137.64 118.88 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.857 HG22 ' CG2' ' A' ' 8' ' ' VAL . 98.5 t -103.7 124.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.615 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -107.03 144.11 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.844 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.2 t60 -154.74 -174.4 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.633 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.758 ' CB ' HD12 ' A' ' 24' ' ' LEU . 5.4 p-10 -106.19 140.5 39.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.635 ' O ' HD13 ' A' ' 137' ' ' ILE . 8.3 t0 -147.42 159.86 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.688 HD21 HG23 ' A' ' 150' ' ' VAL . 2.1 mp -98.74 104.8 16.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -102.5 -73.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.46 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 9.9 mt -135.11 -96.82 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 138' ' ' GLY . 11.2 mt-10 -88.63 172.07 9.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.58 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 1.5 m-85 -92.49 82.57 4.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 159.36 40.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.3 mmm-85 -136.64 157.78 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.993 HG23 HD11 ' A' ' 165' ' ' ILE . 1.4 pp -120.64 163.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.2 tpt180 -148.77 108.9 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.908 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -108.0 125.86 52.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.6 -179.54 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.812 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.1 OUTLIER -126.92 -85.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.55 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -84.66 -88.23 0.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.84 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 177.06 127.49 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' GLY . 2.6 mp0 -38.74 121.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.713 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.49 ' CA ' ' NH2' ' A' ' 134' ' ' ARG . . . -38.77 -67.98 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.57 43.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.635 ' ND1' HD11 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -118.82 138.33 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.515 ' CB ' ' CE ' ' A' ' 69' ' ' MET . 1.3 m-20 -55.52 -33.5 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -53.46 -60.58 8.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.635 HD11 ' ND1' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.73 -42.68 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -61.82 -35.47 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' ASN . 0.3 OUTLIER -71.48 -32.23 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.815 HG13 HD12 ' A' ' 125' ' ' LEU . 2.4 t -67.74 -45.21 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 127' ' ' THR . 16.1 t -72.32 -27.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.05 -33.7 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -89.43 -45.59 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.815 HD12 HG13 ' A' ' 121' ' ' VAL . 31.0 mt -77.93 -22.28 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 127' ' ' THR . . . 74.61 2.29 63.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.63 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.6 OUTLIER 83.28 130.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.0 110.405 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.604 ' O ' ' CG ' ' A' ' 87' ' ' PRO . 8.3 tptt -152.11 17.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.812 ' O ' HD11 ' A' ' 108' ' ' ILE . 19.7 m-20 80.73 20.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.645 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 97.2 m-85 -53.59 157.2 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.791 ' HG3' HD13 ' A' ' 108' ' ' ILE . 80.1 mt-30 -95.52 158.54 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -144.28 149.27 36.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.615 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.9 t -131.51 87.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 1.6 mpp_? -89.33 145.54 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.844 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.8 mt -102.94 147.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -99.16 98.15 1.93 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.654 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.9 101.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.85 89.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.53 -22.99 56.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.688 HG23 HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -73.99 -36.15 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 17' ' ' TYR . 30.5 mt -88.31 46.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.682 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -72.2 -107.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.682 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 8.2 t30 139.36 45.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.766 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -74.32 31.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.75 -52.7 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.724 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -74.98 -71.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.766 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -38.18 10.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.1 tt0 -75.47 -31.69 60.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.55 -43.32 93.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.716 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.02 -34.73 50.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 1.014 ' O ' HG22 ' A' ' 165' ' ' ILE . 8.6 mm-40 -76.0 -37.01 58.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.7 t -53.7 -50.85 81.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.793 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.563 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 6.4 m -63.61 -60.55 3.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.014 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.52 -54.09 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.7 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.1 m -46.61 -46.47 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -58.32 -45.45 88.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.645 ' CG ' HG13 ' A' ' 188' ' ' VAL . 1.7 tp60 -63.56 -49.06 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.93 -37.37 84.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.21 -45.67 75.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.47 -43.66 84.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.064 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -60.98 -36.9 80.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.7 m -65.01 -53.26 48.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.643 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -57.29 -35.21 69.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.643 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.37 -38.63 65.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.777 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -55.96 -42.83 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 56' ' ' ALA . 12.2 mt -78.85 -28.73 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -62.77 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -147.79 -71.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.39 -177.4 31.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.407 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 1.9 ptt? -90.9 -17.45 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.595 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -50.32 -46.3 83.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.253 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.95 -40.49 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -63.04 -39.2 94.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.557 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.886 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 20.8 t-20 -79.63 -20.23 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.4 ttt180 -96.67 -53.21 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.064 HG21 ' HB2' ' A' ' 172' ' ' ALA . 60.4 t -88.14 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.557 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 26.6 t-80 -69.8 22.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -97.93 -31.02 12.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.604 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.448 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 168.79 24.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -118.65 136.4 53.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -108.11 139.87 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.894 HG13 ' CG1' ' A' ' 91' ' ' ILE . 2.7 t -122.46 142.96 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.627 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.18 118.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.37 109.24 3.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.875 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -96.57 112.46 24.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 0.754 . . . . 0.0 109.348 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -140.48 -147.42 4.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.799 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -121.76 131.2 24.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.02 66.7 6.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 60.15 138.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.388 1.055 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 162.59 130.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -51.85 -26.32 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 151' ' ' LEU . 1.6 t80 -85.37 -20.07 30.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.799 ' HB2' HD21 ' A' ' 12' ' ' ASN . . . -73.41 -40.69 64.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -37.32 -45.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 36.8 p -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.599 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 150.01 -11.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.7 t-160 -53.62 -5.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.61 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.635 ' O ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -115.91 79.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.836 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -121.74 -52.41 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.517 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -41.92 -67.94 0.77 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CE1' ' NZ ' ' A' ' 64' ' ' LYS . 22.2 t80 -71.36 -26.14 62.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.786 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -64.8 -40.72 90.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.405 HG23 HD12 ' A' ' 24' ' ' LEU . 2.3 t -74.2 -52.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -58.18 -44.48 88.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 34' ' ' ALA . 46.2 t0 -62.71 -43.02 99.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.626 1.204 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.4 -59.68 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 7.2 mt -56.33 -34.71 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -76.34 -20.96 56.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -31.84 41.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -84.86 -43.79 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -18.56 48.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 94.74 -39.52 2.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.634 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . 60.21 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.372 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -139.27 14.69 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.995 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -58.05 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -158.1 -164.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.24 103.29 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -37.12 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -38.26 80.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.871 ' HB3' HD11 ' A' ' 79' ' ' LEU . 2.6 m -89.8 -43.03 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.12 54.93 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.62 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 179.46 174.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 0.713 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CD ' ' CE2' ' A' ' 40' ' ' PHE . 1.8 tt0 -87.06 149.74 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.697 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 15.4 m -139.34 119.33 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.995 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -127.06 112.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -92.12 160.54 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -153.2 -163.6 11.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 7.5 mtp180 -160.79 131.88 5.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 0.746 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 177' ' ' ILE . 1.4 m 170.95 -178.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.543 ' H ' HG23 ' A' ' 177' ' ' ILE . . . 52.28 20.14 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 73.08 42.42 43.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 mmt-85 175.84 154.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -67.44 170.3 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.498 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 2.4 pp -146.43 127.81 14.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.4 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 28.1 t -109.06 107.82 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 63' ' ' ALA . 1.2 tm? -101.57 120.91 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.614 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -125.23 161.83 26.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.652 ' NZ ' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -170.01 110.58 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.64 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.511 ' C ' ' N ' ' A' ' 68' ' ' TYR . 33.2 mmt180 -88.19 -86.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -44.08 -23.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.757 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.0 m-85 64.17 -80.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.458 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -36.0 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.55 -37.82 71.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -56.38 -40.11 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.757 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.8 t -70.37 -57.52 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.873 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.36 -52.66 3.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.993 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 0.753 . . . . 0.0 110.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.597 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 16.8 tp60 -45.1 -48.99 12.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.783 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -68.69 -46.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.22 -66.74 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.993 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.01 -46.73 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.449 1.763 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.871 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.53 -39.67 67.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.832 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.57 -50.99 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.48 -15.23 61.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.662 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.6 t80 -78.0 -43.8 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -81.57 -10.13 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 t 52.91 46.39 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.409 HG22 ' H ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -95.61 174.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.058 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -83.64 154.59 65.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.05 -30.2 7.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.36 3.79 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 1.058 HD21 ' HB3' ' A' ' 86' ' ' ALA . 61.5 m-20 -104.31 -14.59 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mm -91.72 135.1 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.894 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -135.3 117.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.433 ' HA ' HG23 ' A' ' 8' ' ' VAL . 7.3 p -104.61 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.987 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.8 OUTLIER -104.13 145.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.875 ' CE1' HD11 ' A' ' 10' ' ' LEU . 1.6 t60 -156.66 -178.88 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.563 ' OD1' HG21 ' A' ' 137' ' ' ILE . 5.7 t70 -103.25 146.13 28.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 135' ' ' ILE . 4.3 t0 -154.88 166.22 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.695 HD11 ' CG2' ' A' ' 150' ' ' VAL . 1.3 mp -100.77 106.67 18.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CB ' ' HA3' ' A' ' 136' ' ' GLY . 20.5 t0 -98.36 -73.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.429 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 4.1 mp -135.72 -94.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -88.0 169.45 11.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.404 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -84.09 96.61 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.655 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 135.47 44.97 0.1 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -133.35 158.04 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.883 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.4 pt -116.42 163.58 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.7 tpt180 -149.71 97.56 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.79 129.74 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.89 172.91 17.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.737 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.2 tp -97.49 -92.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.737 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -42.92 -78.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.31 -103.19 1.56 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -164.46 -61.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 3.5 tp10 84.56 -66.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.82 108.68 0.25 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 166.47 -87.52 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.417 ' CG ' ' CE ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -62.22 152.15 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.596 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.24 -62.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.47 -50.63 10.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 10' ' ' LEU . 11.1 mt -58.97 -43.58 91.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.536 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.6 ttt180 -66.16 -31.67 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 16.3 t -73.97 -28.42 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.873 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.66 -42.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER -67.45 -43.0 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.13 -35.99 69.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.47 -48.26 61.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.832 HD21 ' CB ' ' A' ' 80' ' ' ALA . 10.5 mt -81.73 -20.67 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 76.62 3.18 78.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.61 145.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 2.8 tmtt? 175.97 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 16.3 m-20 61.64 96.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.796 ' CE2' HD13 ' A' ' 125' ' ' LEU . 17.3 m-85 -124.9 171.93 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.551 ' CG ' HD12 ' A' ' 108' ' ' ILE . 73.2 mt-30 -107.14 154.06 21.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.46 ' CZ ' ' HD2' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -144.74 149.64 35.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.987 ' HB ' HG22 ' A' ' 93' ' ' ILE . 9.9 t -131.25 85.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 105' ' ' ARG . 4.0 mpp_? -89.02 146.44 24.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.836 HD13 ' HG ' ' A' ' 24' ' ' LEU . 3.0 mt -98.33 148.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.45 93.78 0.98 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.628 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.01 99.58 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.502 ' O ' HD22 ' A' ' 151' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.36 82.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 10.8 t80 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.695 ' CG2' HD11 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.22 -30.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.586 HD13 HG13 ' A' ' 150' ' ' VAL . 0.2 OUTLIER -96.17 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.7 mm-40 -72.83 -107.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.583 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 14.8 t30 151.75 46.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.791 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.94 28.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.14 -52.0 0.1 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.687 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.94 -67.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.791 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -42.14 34.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.9 mt-10 -72.59 -32.47 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.85 -42.99 90.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.735 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.21 -34.56 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.933 ' O ' HG22 ' A' ' 165' ' ' ILE . 12.3 mm-40 -75.83 -37.0 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -53.09 -50.44 82.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.94 -29.01 8.79 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.532 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.9 m -60.74 -59.46 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.933 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.73 -51.67 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.873 ' N ' HD13 ' A' ' 165' ' ' ILE . 52.1 m -46.92 -48.03 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 108.328 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.9 94.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.495 ' CG ' HG13 ' A' ' 188' ' ' VAL . 3.2 tp60 -64.45 -47.5 78.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.685 ' HB2' HD13 ' A' ' 104' ' ' ILE . . . -64.7 -35.63 81.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.95 93.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -68.0 -41.24 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.048 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.2 -41.08 87.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.0 m -65.18 -53.0 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.2 pt-20 -57.02 -47.72 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.98 -36.52 83.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.594 1.184 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.693 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.3 tt -56.3 -49.67 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.543 HG23 ' H ' ' A' ' 56' ' ' ALA . 15.0 mt -67.13 -30.87 50.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -57.48 -69.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -121.92 -71.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -154.11 -176.68 26.73 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.425 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 12.4 ptp -92.55 -13.95 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.401 0.707 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.1 mt-10 -53.18 -44.33 96.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.12 -39.16 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.537 1.809 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.647 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.42 -37.78 88.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.5 tt0 -72.27 -39.91 68.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.846 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 12.8 t30 -78.99 -20.08 50.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -97.91 -52.53 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.048 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.7 t -87.57 -57.02 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.575 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.5 t-80 -70.43 22.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.846 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -101.19 -36.08 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.655 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.1 p-90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.02 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -130.26 137.57 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -116.43 141.64 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.989 HG12 ' CG1' ' A' ' 91' ' ' ILE . 6.9 m -133.79 141.55 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.709 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.43 125.34 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.44 105.33 3.07 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -89.35 96.01 10.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.81 -152.46 8.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 22' ' ' HIS . 1.2 t30 -134.7 126.47 18.02 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 153.51 42.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.594 1.839 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 15' ' ' ALA . . . 75.73 126.52 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.627 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -58.68 -140.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 0.806 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 57.52 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.6 ' CE2' HD11 ' A' ' 151' ' ' LEU . 3.1 t80 -71.88 -19.17 61.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.45 -38.25 68.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -41.49 -30.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.632 HG21 HD12 ' A' ' 151' ' ' LEU . 23.9 p -76.52 25.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.83 ' NE ' HD21 ' A' ' 24' ' ' LEU . 0.9 OUTLIER 67.56 10.49 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -63.97 5.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.2 m-20 -121.23 29.84 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.851 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -52.52 -64.37 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.548 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -35.41 -61.02 0.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CE1' ' OE2' ' A' ' 49' ' ' GLU . 18.2 t80 -67.35 -33.58 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 23' ' ' ASN . 2.5 t -66.01 -42.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.639 HG23 HD12 ' A' ' 24' ' ' LEU . 2.6 t -69.02 -53.29 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.011 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.96 -47.1 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.3 t70 -60.4 -36.12 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -62.86 -62.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 7.1 mt -53.97 -26.52 26.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . . . -87.97 -23.83 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -91.85 -4.98 54.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -111.98 -41.68 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.932 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -82.76 -17.07 45.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.12 -0.3 78.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.6 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -31.1 147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.37 68.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.739 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -78.6 -167.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.27 -177.38 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -154.57 81.05 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.8 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.598 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.39 -173.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HB2' HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER 85.13 -26.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.972 ' CB ' HD11 ' A' ' 79' ' ' LEU . 1.6 t 165.15 -25.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 119.66 57.19 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.74 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 178.27 -170.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.61 ' OE1' ' CZ ' ' A' ' 40' ' ' PHE . 1.7 mt-10 -76.49 143.4 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 31.1 m -155.69 118.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -119.96 110.11 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.525 HG22 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -100.05 123.51 44.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.06 -162.54 10.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 2.2 mtt85 -152.18 131.41 12.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 0.77 . . . . 0.0 110.23 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 6.6 m -170.02 -173.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 1.017 ' CB ' HG21 ' A' ' 177' ' ' ILE . . . 44.59 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 66.66 43.88 90.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.0 154.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.479 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -56.57 169.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.92 117.58 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.529 ' HB ' HD12 ' A' ' 6' ' ' LEU . 41.4 t -106.65 98.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.011 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -99.58 104.94 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -126.64 175.98 7.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -179.03 123.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.74 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.01 -158.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.495 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.0 mmt180 -80.98 -84.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.61 -18.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.344 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.697 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.9 m-85 61.27 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 10' ' ' LEU . 66.6 ttp -40.93 -96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 69' ' ' MET . 1.1 t-20 -61.8 -31.58 71.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.552 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -58.92 -45.52 90.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.637 ' N ' ' O ' ' A' ' 68' ' ' TYR . 34.2 t -68.95 -36.0 77.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.543 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -55.83 -51.53 54.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 1.057 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -82.19 -36.3 27.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.674 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.0 mm-40 -61.02 -46.11 92.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.785 ' O ' ' N ' ' A' ' 80' ' ' ALA . 76.8 mt -71.08 -50.6 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.44 -62.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 1.057 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.972 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -56.15 -39.51 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.829 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.03 -49.04 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -74.84 -18.09 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.655 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -72.67 -45.46 58.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.631 ' HB3' HG23 ' A' ' 85' ' ' VAL . 14.2 m-85 -81.62 -9.13 59.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.8 t 55.61 50.21 14.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' HB3' ' A' ' 83' ' ' TYR . 21.8 t -103.47 167.71 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.742 ' HB3' ' OD1' ' A' ' 89' ' ' ASN . . . -84.62 155.42 62.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HB2' ' C ' ' A' ' 129' ' ' ASP . 18.3 Cg_endo -75.07 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.4 1.94 14.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.605 1.191 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.742 ' OD1' ' HB3' ' A' ' 86' ' ' ALA . 29.6 m120 -107.94 -24.8 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.442 HG12 HD22 ' A' ' 6' ' ' LEU . 22.9 mt -86.87 132.41 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.989 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -137.9 120.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 10' ' ' LEU . 9.5 p -105.1 131.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.589 HD13 HD11 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -106.26 151.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.862 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.8 t-160 -154.13 172.29 17.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.577 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.531 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -103.26 141.36 36.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -155.11 170.26 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -107.04 132.03 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -126.6 -67.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.419 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 mp -133.95 -97.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.73 178.01 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -92.77 71.99 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.441 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 168.81 41.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.633 ' HD3' ' CZ2' ' A' ' 191' ' ' TRP . 10.5 mmt85 -135.71 161.68 34.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.026 HG23 HD11 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -123.63 163.28 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.28 98.26 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.85 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -108.3 142.2 38.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 167.48 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.815 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -119.6 -82.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.489 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.93 -35.13 31.58 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -42.11 97.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.36 156.13 26.71 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -39.5 -59.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.68 -51.71 4.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.581 1.176 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.51 58.8 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -130.22 127.17 39.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.552 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.27 64.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.412 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -65.41 -58.15 10.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.813 HD13 ' HD3' ' A' ' 132' ' ' ARG . 13.7 mt -55.56 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 3.8 ttt-85 -59.97 -35.19 74.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.075 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.2 t -69.66 -30.38 68.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.535 HG13 HD12 ' A' ' 125' ' ' LEU . 2.7 t -71.96 -42.3 68.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 127' ' ' THR . 12.9 t -73.79 -28.96 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.43 62.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.407 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 80' ' ' ALA . 29.3 mt -78.09 -25.09 47.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 61.05 10.94 23.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.686 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -103.45 -154.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.607 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -176.69 62.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.468 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 1.8 m-20 -149.87 16.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.728 ' CE1' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -85.67 156.77 20.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -102.89 157.84 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.813 ' HD3' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -137.28 147.41 45.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 106' ' ' LEU . 3.8 t -135.51 84.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 9.3 mtp180 -86.31 160.38 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.862 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.1 mp -112.47 154.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -109.72 96.27 0.94 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.131 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.669 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -105.85 101.85 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.919 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.15 81.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.443 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.4 t80 -75.78 -22.49 56.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.699 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -80.95 -26.7 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.699 HD22 HG12 ' A' ' 150' ' ' VAL . 1.0 OUTLIER -91.18 39.43 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.8 mm-40 -66.91 -105.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.637 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 12.1 t30 143.85 46.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.819 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.97 28.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -20.78 -52.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.472 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.708 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.91 -71.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.819 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.82 11.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.8 mt-10 -75.41 -30.66 60.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.97 -45.14 91.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.686 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.66 -34.48 53.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 1.041 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.1 mm-40 -75.38 -37.18 60.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.704 HG22 ' HE ' ' A' ' 21' ' ' ARG . 1.8 t -53.7 -52.16 69.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -26.76 10.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.617 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.3 m -64.69 -60.16 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.041 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.76 -54.36 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.762 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.7 m -45.99 -49.07 16.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -56.58 -47.31 79.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.524 ' HB3' HG13 ' A' ' 188' ' ' VAL . 19.8 mm-40 -61.44 -47.46 85.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.907 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.26 -40.55 94.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.61 70.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 44.8 m-20 -66.99 -44.79 79.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.055 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.53 -42.69 88.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.894 ' O ' HD12 ' A' ' 177' ' ' ILE . 92.1 m -61.88 -52.28 64.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.5 OUTLIER -59.67 -47.11 86.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.499 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.09 -42.72 88.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.71 ' C ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -49.22 -50.94 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 1.017 HG21 ' CB ' ' A' ' 56' ' ' ALA . 1.8 mt -76.22 -23.5 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.76 -31.94 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.223 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -158.57 -71.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.419 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -154.99 170.76 33.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.5 ptm -89.01 -18.81 26.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.79 -47.59 72.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -39.96 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.59 -37.0 85.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.533 ' HA ' ' CB ' ' A' ' 189' ' ' HIS . 1.2 tt0 -71.9 -41.17 68.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.757 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -78.89 -20.68 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -95.37 -52.39 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.055 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.9 t -89.77 -59.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.533 ' CB ' ' HA ' ' A' ' 185' ' ' GLN . 16.4 t-80 -66.8 23.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -107.58 -33.53 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.687 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 5.8 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 -172.94 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -136.26 140.84 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -112.62 142.09 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.9 HG12 HG12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -130.36 145.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -134.96 123.6 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -95.4 113.2 4.56 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 94' ' ' HIS . 4.8 mt -89.38 108.23 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 0.718 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 68' ' ' TYR . . . -117.54 -170.61 15.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -134.03 116.33 13.37 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.896 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 78.94 -148.87 32.17 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.459 1.1 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -112.11 -73.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -53.04 -42.13 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.502 ' CD1' ' CG ' ' A' ' 12' ' ' ASN . 1.4 m-85 -83.51 -16.28 46.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.896 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -48.6 -24.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.872 ' O ' ' N ' ' A' ' 21' ' ' ARG . 14.1 mmt85 -140.62 -98.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 19' ' ' ARG . 1.2 t 51.87 -57.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.872 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.4 ppt_? 168.71 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 21' ' ' ARG . 71.1 m80 -71.45 13.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.551 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 27' ' ' VAL . 64.0 t30 -110.88 16.65 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.955 HD13 ' CG ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -60.41 -42.62 96.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.63 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -46.56 -60.62 4.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.624 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 8.4 t80 -75.84 -26.83 57.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 23' ' ' ASN . 12.2 t -71.08 -40.61 75.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.3 t -70.73 -53.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.61 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -57.24 -32.74 66.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -67.65 -48.72 65.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.15 -56.6 13.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -56.53 -50.5 71.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.52 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -71.27 -38.97 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -84.51 -43.59 14.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -169.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.54 27.21 15.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -87.91 119.59 28.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -97.98 11.46 37.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.94 ' CD1' ' HB2' ' A' ' 51' ' ' ALA . 23.0 m-85 57.51 147.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -121.8 178.38 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -158.02 136.76 11.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.1 m80 -142.45 162.71 34.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' GLY . 3.7 ttmt -80.12 -178.99 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' A' ' 47' ' ' GLY . 0.9 OUTLIER 48.1 -126.62 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.968 ' O ' HD11 ' A' ' 79' ' ' LEU . 4.3 p -78.66 13.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -66.14 -72.26 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.899 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 59.25 -166.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -85.4 148.18 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -163.71 132.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.94 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . . . -123.53 122.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.41 161.77 24.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 1.14 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.55 ' HA3' HD21 ' A' ' 60' ' ' LEU . . . -153.4 117.51 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -111.89 103.53 11.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.545 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 179.87 -170.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.981 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 57.69 17.69 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.66 34.95 55.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 178.19 157.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -83.09 167.09 18.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.55 HD21 ' HA3' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -149.42 126.1 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 6' ' ' LEU . 69.9 t -105.73 110.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.3 tm? -104.26 125.31 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -127.21 166.89 16.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.226 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.69 110.7 0.19 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.899 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.0 -156.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.511 1.795 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.519 ' C ' ' N ' ' A' ' 68' ' ' TYR . 18.0 mmt180 -82.13 -84.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.643 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.25 -19.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.323 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 72' ' ' SER . 7.4 m-85 61.81 -81.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.698 ' HA ' HD22 ' A' ' 10' ' ' LEU . 47.6 ttm -35.23 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.606 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 1.4 m-20 -68.73 -39.85 80.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.643 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 2.0 tp10 -52.67 -38.34 60.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.719 ' HB3' HD21 ' A' ' 10' ' ' LEU . 21.8 t -74.42 -45.76 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.707 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -46.3 -50.22 13.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.967 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.37 -55.34 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.228 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.631 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 2.2 tt0 -39.42 -49.75 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.727 ' O ' ' N ' ' A' ' 80' ' ' ALA . 57.2 mt -67.12 -43.67 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.404 1.065 . . . . 0.0 109.199 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.94 -68.88 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.967 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.968 HD11 ' O ' ' A' ' 46' ' ' SER . 1.7 mt -51.97 -40.07 60.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.773 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.57 -50.24 59.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -16.62 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.72 ' N ' ' O ' ' A' ' 78' ' ' PRO . 8.2 t80 -75.77 -44.11 43.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -80.63 -13.85 58.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.3 t 52.85 46.45 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 86' ' ' ALA . 12.3 p -97.75 170.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.505 ' N ' HG22 ' A' ' 85' ' ' VAL . . . -82.73 157.76 66.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.739 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -31.44 6.25 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -71.33 -3.18 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 6' ' ' LEU . 66.6 m-20 -103.37 -29.25 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.556 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 mt -89.19 134.58 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.9 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -138.01 139.21 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.413 ' HA ' HG23 ' A' ' 8' ' ' VAL . 1.1 p -118.48 122.91 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.883 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.2 pt -100.96 141.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.822 ' CE1' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -154.41 166.23 33.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.587 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.955 ' CG ' HD13 ' A' ' 24' ' ' LEU . 39.7 t0 -109.42 140.25 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.568 ' O ' HG13 ' A' ' 137' ' ' ILE . 1.5 t70 -150.98 150.42 30.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.85 HD22 HG21 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -76.65 116.0 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 14.2 t0 -114.54 -83.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.402 1.064 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.436 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -134.16 -73.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' A' ' 102' ' ' GLY . 1.6 tm-20 -87.66 162.41 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.92 29.23 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 100' ' ' GLU . . . -160.59 48.25 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.94 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp85 -130.69 164.24 25.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.807 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.912 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pp -125.24 163.37 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.5 tpt85 -149.97 98.16 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.791 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.94 138.19 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 106' ' ' LEU . 14.2 mtpt -154.43 179.32 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.565 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -106.16 -56.38 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.565 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -100.73 -63.28 0.79 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.85 92.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.64 -46.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 28.7 tt0 -43.39 -60.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 38.1 -112.33 0.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.7 54.42 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 1.4 m80 -117.93 119.52 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -64.04 -52.92 57.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.455 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -51.1 -58.35 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 122' ' ' VAL . 6.0 mt -52.02 -45.24 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -45.82 89.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -61.37 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.667 HG22 ' HA2' ' A' ' 73' ' ' GLY . 11.0 t -68.9 -44.7 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 118' ' ' LEU . 12.9 t -68.61 -25.09 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.37 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -79.0 -42.15 27.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 1.041 HD13 ' CE2' ' A' ' 130' ' ' PHE . 21.9 mt -78.94 -22.49 45.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.18 9.39 67.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.411 1.07 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 82.15 111.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 87' ' ' PRO . 17.9 tptt -132.61 19.63 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.551 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 94.2 m-20 66.86 21.08 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.624 1.202 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 1.041 ' CE2' HD13 ' A' ' 125' ' ' LEU . 28.8 m-85 -51.46 169.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 29.6 mt-30 -95.57 155.66 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -141.81 148.48 38.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.883 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.4 t -136.21 82.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -88.91 142.92 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 103' ' ' ARG . 5.0 mp -98.89 148.41 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -103.65 105.92 2.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 1.02 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.7 pp -118.8 71.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.143 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.57 98.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -23.58 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.85 HG21 HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -75.32 -36.25 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.893 ' O ' HD23 ' A' ' 151' ' ' LEU . 6.8 tt -114.14 35.78 4.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 9.6 tm-20 -66.87 -88.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.649 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.1 t30 152.49 50.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.685 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -66.93 25.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.649 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -25.03 -51.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.665 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.01 -67.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.685 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -43.94 38.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.71 -28.81 61.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.018 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.92 -45.39 86.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.684 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.46 -33.29 42.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.855 ' O ' HG22 ' A' ' 165' ' ' ILE . 7.9 tp10 -75.3 -36.5 61.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.175 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -56.06 -52.4 72.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.018 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.01 -25.23 12.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.596 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.5 m -61.67 -59.47 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.912 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -71.69 -50.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.817 ' N ' HD13 ' A' ' 165' ' ' ILE . 60.4 m -47.86 -46.55 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.266 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -62.96 -45.31 93.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.559 ' HG2' ' CH2' ' A' ' 191' ' ' TRP . 0.9 OUTLIER -65.1 -46.68 80.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.829 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -70.7 -36.46 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -48.1 77.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 32.5 m-20 -67.55 -40.67 84.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.638 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -65.39 -36.08 82.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.2 m -64.16 -50.48 68.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.25 -48.01 79.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.61 -40.17 88.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.703 ' C ' HD23 ' A' ' 176' ' ' LEU . 2.9 tt -49.6 -50.02 44.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.9 mm -79.08 -21.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 11.5 tm-20 -59.04 -41.59 88.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -142.33 -71.33 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -153.99 175.82 32.11 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.82 -13.13 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.384 0.697 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.15 -47.78 65.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.05 -36.63 2.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.702 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.6 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -68.91 -39.04 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 1.019 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -81.9 -23.82 36.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 1.6 ttt180 -94.68 -55.48 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.702 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -73.97 -50.71 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.6 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.15 16.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.579 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 1.019 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -75.31 -47.31 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 188' ' ' VAL . 34.4 p90 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.95 176.47 9.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.14 139.27 44.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -109.05 144.58 36.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -129.41 141.29 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -135.0 122.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -88.62 105.29 3.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.588 1.18 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -86.6 100.27 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -119.76 -165.02 12.84 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 14' ' ' GLY . 1.6 m-80 -136.98 118.93 11.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.592 0.819 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' CG ' ' HA ' ' A' ' 67' ' ' CYS . 18.1 Cg_endo -75.08 14.81 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 17' ' ' TYR . . . -60.09 -141.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -156.17 -98.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -36.59 -66.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 1.007 ' O ' HG22 ' A' ' 20' ' ' THR . 1.2 p90 -68.66 -23.57 64.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.66 -25.84 66.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' H ' ' A' ' 21' ' ' ARG . 3.3 tpt180 -73.96 -25.28 59.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 1.007 HG22 ' O ' ' A' ' 17' ' ' TYR . 5.8 t -63.15 -3.2 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.68 ' CB ' ' O ' ' A' ' 20' ' ' THR . 10.3 tpp180 101.7 9.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 3.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.715 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.3 t-20 -121.49 37.99 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD23 ' HG3' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -52.37 -62.63 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.503 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -38.81 -62.79 1.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.8 t80 -65.5 -30.13 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 0.727 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.9 t -69.14 -42.35 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.895 HG11 HD13 ' A' ' 93' ' ' ILE . 4.1 p -79.69 -34.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -65.38 -45.05 85.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 19.8 t0 -70.76 -43.4 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -55.12 -53.24 58.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.45 -59.69 4.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -60.46 -18.2 49.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -83.04 -26.1 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -101.11 -42.83 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -22.37 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.9 -2.83 82.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -33.02 151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -133.58 39.45 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.786 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.58 -149.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.568 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.3 -163.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.96 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -135.79 120.16 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -177.27 -121.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.675 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 64.53 140.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -37.76 -31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.793 ' CB ' HD11 ' A' ' 79' ' ' LEU . 10.9 p -63.16 -53.87 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 96.82 69.46 1.0 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.901 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -165.24 -176.73 4.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.96 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 34.4 tp10 -86.62 152.6 22.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.786 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 1.1 p -172.44 156.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.707 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -144.75 128.41 17.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 126.11 35.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -128.92 110.86 1.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 55' ' ' SER . 3.0 mtp180 -115.96 108.16 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.618 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER 164.99 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.614 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 68.37 6.84 5.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.66 19.3 35.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.618 ' O ' ' O ' ' A' ' 55' ' ' SER . 3.6 tpm_? -178.9 159.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -80.91 171.86 14.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.958 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -157.87 121.86 4.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.623 HG11 HD11 ' A' ' 6' ' ' LEU . 33.7 t -108.74 98.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -95.0 112.87 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -122.88 169.35 11.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.628 ' HZ1' ' HE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 175.21 115.48 0.11 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.901 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.05 -153.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.57 1.826 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.0 mmt180 -88.23 -86.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.1 -24.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 108.385 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.2 m-85 64.31 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' TYR . 35.4 ttm -27.25 -94.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.477 ' N ' ' HG2' ' A' ' 69' ' ' MET . 10.1 t-20 -68.42 -33.86 74.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.8 mt-10 -61.7 -28.81 69.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.6 t -80.82 -51.22 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.594 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -48.88 -49.59 28.53 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.973 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.5 -46.92 36.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 0.719 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.7 tm0? -45.09 -49.81 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.772 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 mt -68.01 -44.66 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.52 -68.11 0.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.973 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.0 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.793 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.51 -41.17 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 1.014 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.86 -50.16 63.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -18.17 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.674 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.2 t80 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -79.67 -7.71 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 56.48 53.02 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 158.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.18 157.47 62.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.794 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.95 -15.36 20.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.23 -8.45 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.637 ' O ' ' N ' ' A' ' 6' ' ' LEU . 76.9 m-20 -108.28 -22.49 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.672 HG12 HD22 ' A' ' 6' ' ' LEU . 7.7 mt -87.13 136.77 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.407 1.067 . . . . 0.0 109.215 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.838 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.57 141.4 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.6 p -119.12 136.59 55.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.895 HD13 HG11 ' A' ' 28' ' ' VAL . 4.3 tt -112.7 144.32 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.56 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -153.58 172.77 16.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.557 1.161 . . . . 0.0 109.65 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.545 ' OD1' ' C ' ' A' ' 95' ' ' ASP . 0.4 OUTLIER -96.27 143.02 27.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 6.1 t0 -150.26 160.03 44.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.766 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -104.2 108.98 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -99.47 -78.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.423 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -135.72 -87.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -88.94 172.44 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -92.08 99.26 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.08 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.541 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . 135.17 48.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.857 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -134.52 155.06 51.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.79 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.988 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.9 pp -121.98 155.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -144.87 106.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.781 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.66 139.78 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 7.5 mtpt -150.33 -179.41 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.666 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -134.48 -88.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.666 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -87.71 39.68 3.1 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.87 92.52 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.26 38.82 1.19 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 2.6 tt0 57.58 104.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.68 -62.47 1.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.18 54.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.69 142.63 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -56.43 -32.33 64.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.11 -59.02 11.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.493 HD22 HG11 ' A' ' 92' ' ' VAL . 6.7 mt -55.17 -49.8 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -58.04 -36.09 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 124' ' ' ALA . 7.4 t -72.35 -30.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.594 HG22 ' HA2' ' A' ' 73' ' ' GLY . 26.7 t -66.75 -45.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 127' ' ' THR . 28.4 t -74.11 -28.86 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.85 47.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.22 -47.5 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 1.014 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -84.1 -24.74 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 66.35 5.76 30.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.695 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -92.84 -157.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.442 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.461 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 9.2 tptt -169.89 74.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.543 ' HB2' ' HG2' ' A' ' 87' ' ' PRO . 0.5 OUTLIER -166.48 20.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.794 ' CD2' ' HB3' ' A' ' 87' ' ' PRO . 3.8 m-85 -80.71 158.09 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.62 ' OE1' HG22 ' A' ' 91' ' ' ILE . 58.5 mt-30 -101.17 156.56 17.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.483 ' HD3' HD13 ' A' ' 118' ' ' LEU . 6.5 mtt-85 -133.71 148.03 51.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.691 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.7 t -144.17 83.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.238 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.5 OUTLIER -91.99 142.21 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.857 HG23 ' O ' ' A' ' 103' ' ' ARG . 5.1 mp -99.27 149.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.25 100.04 1.77 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.2 pp -113.39 98.84 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.437 1.085 . . . . 0.0 111.08 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.94 99.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 8.0 t80 -75.52 -23.11 56.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.49 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.17 -31.46 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.589 ' HA ' HG21 ' A' ' 20' ' ' THR . 3.9 mt -97.49 42.93 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 14.2 mm-40 -74.55 -106.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.575 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 7.8 t-20 153.27 47.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.827 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.86 28.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.576 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.94 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.362 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.698 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -75.08 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.827 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.54 -41.31 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.675 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -75.16 -29.76 60.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.73 -44.58 90.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.371 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.712 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.93 -34.13 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.67 ' O ' HG22 ' A' ' 165' ' ' ILE . 5.6 mm-40 -75.62 -36.29 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.675 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -55.28 -51.36 80.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.97 -25.89 11.49 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -61.18 -61.21 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.999 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -70.3 -45.38 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.999 ' N ' HD13 ' A' ' 165' ' ' ILE . 28.3 m -49.55 -48.51 48.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.1 tt0 -61.15 -47.07 87.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.612 ' OE1' ' CD1' ' A' ' 191' ' ' TRP . 0.4 OUTLIER -63.69 -47.74 79.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.923 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.66 -38.16 86.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.39 -41.41 80.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -67.53 -44.11 79.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.087 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.27 -42.36 86.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 16.3 m -65.22 -52.67 53.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.02 -46.33 85.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.497 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.2 tt -51.3 -50.95 58.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 56' ' ' ALA . 11.0 mm -71.39 -25.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.392 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.05 -41.33 82.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.94 -71.95 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -162.08 175.35 38.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -87.2 -22.17 25.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -43.28 -51.0 14.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.96 -38.64 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.758 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.606 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.73 -37.22 86.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.561 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.2 tt0 -72.38 -41.15 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.808 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 22.0 t-20 -78.35 -21.05 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -95.54 -52.94 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 1.177 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.087 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.8 t -88.76 -58.8 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.4 t-80 -67.24 23.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -103.59 -36.64 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.683 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.054 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.88 27.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -131.46 135.76 47.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.698 HD22 HG12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -117.39 140.64 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.554 HG13 HG12 ' A' ' 91' ' ' ILE . 3.0 t -121.56 141.98 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.632 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.98 123.33 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.42 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.1 115.72 5.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -101.07 95.69 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -120.07 -142.78 6.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' HIS . 4.4 m120 -138.96 128.05 14.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.687 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -9.56 20.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.7 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -53.82 -110.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 162.62 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 1.6 m120 -38.83 -61.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.573 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -76.81 -19.52 57.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.069 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . . . -74.03 -27.79 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.637 ' HG2' HG23 ' A' ' 155' ' ' THR . 2.5 tpt180 -59.24 -54.34 47.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.89 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 70.1 p -29.52 -40.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.89 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 150.51 -1.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -63.52 5.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.659 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.2 t-20 -127.68 42.84 3.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD12 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -65.6 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.81 -42.31 4.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.554 1.159 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -79.29 -34.55 42.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 0.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.6 t -67.26 -38.4 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.194 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.884 HG21 HD11 ' A' ' 93' ' ' ILE . 25.6 t -72.78 -52.52 22.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.018 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.01 -46.96 78.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 34' ' ' ALA . 18.4 t0 -60.56 -43.13 97.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.603 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -50.87 -59.92 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -52.54 -50.91 61.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.2 66.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -72.19 -38.76 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -43.87 14.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.9 -164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -92.71 -11.58 59.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.28 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 87.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.742 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -149.82 -157.82 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.646 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -117.12 177.33 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . 167.22 110.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER 174.86 -150.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.685 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' ARG . 5.9 tptp -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -34.08 -55.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.4 p -113.94 -20.53 11.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 104.63 36.24 3.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 161.63 -170.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.584 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -88.13 144.84 26.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -142.71 104.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.742 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -104.16 104.03 13.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 1.094 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.98 126.19 46.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.81 -163.23 9.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.0 ttp180 -151.33 131.11 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 0.718 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -163.25 -179.51 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 43.29 25.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.64 51.83 28.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 175.36 154.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.0 172.26 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.62 126.15 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.094 HG22 HG22 ' A' ' 52' ' ' THR . 6.6 t -109.52 101.11 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.018 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -101.21 107.45 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -121.31 172.76 7.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.48 123.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.779 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.0 -156.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.807 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.687 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -84.31 -82.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 110.233 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.514 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -47.44 -21.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 72' ' ' SER . 31.2 m-85 60.09 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 10' ' ' LEU . 37.0 ttm -30.87 -91.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 69' ' ' MET . 16.2 m-20 -70.65 -32.59 69.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -60.98 -34.64 75.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.837 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.3 t -76.37 -50.86 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.842 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.22 -50.62 16.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.42 -46.56 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -46.25 -49.42 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 80' ' ' ALA . 54.3 mt -67.75 -46.51 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.532 ' HA3' ' HB1' ' A' ' 124' ' ' ALA . . . -29.23 -67.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.96 -46.48 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.757 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.92 -40.69 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.771 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.39 -50.33 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -15.86 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.706 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.4 t80 -76.03 -42.9 46.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.8 -0.64 35.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.4 t 51.87 46.07 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 89' ' ' ASN . 0.8 OUTLIER -125.81 163.09 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.225 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -89.18 154.62 49.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.522 ' HB2' ' HB3' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.98 -5.47 16.84 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -62.35 -16.15 52.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.692 HD21 HG22 ' A' ' 85' ' ' VAL . 5.8 p30 -105.05 -18.59 14.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.698 HG12 HD22 ' A' ' 6' ' ' LEU . 32.0 mt -85.33 131.69 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.554 HG12 HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -131.51 119.19 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 ' CG2' ' A' ' 8' ' ' VAL . 62.3 t -100.47 124.22 53.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.884 HD11 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -105.27 141.59 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 1.004 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.2 t60 -147.15 -172.92 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.595 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.772 ' OD2' HG21 ' A' ' 137' ' ' ILE . 4.6 t70 -111.48 144.45 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 137' ' ' ILE . 1.0 OUTLIER -152.09 169.13 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 pp -105.91 116.03 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' OD1' HD12 ' A' ' 99' ' ' LEU . 8.2 t0 -110.22 -83.36 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -129.38 -91.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.74 172.88 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -92.0 77.18 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.83 40.55 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.786 ' O ' HG23 ' A' ' 135' ' ' ILE . 6.4 tpp85 -131.15 161.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 0.78 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.89 ' CG2' HD11 ' A' ' 165' ' ' ILE . 1.5 pp -123.85 165.29 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.63 101.02 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.786 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.72 138.89 39.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -148.22 177.77 9.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -113.71 -82.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.529 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -121.31 39.13 2.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . -49.02 -101.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.14 -115.77 1.75 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -163.73 86.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.47 ' N ' HD12 ' A' ' 118' ' ' LEU . . . -90.49 80.08 1.41 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.471 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . 151.06 -61.09 0.41 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.582 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER 83.96 -38.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 0.762 . . . . 0.0 109.588 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -52.66 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -73.27 -27.52 67.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.907 ' O ' HG23 ' A' ' 122' ' ' VAL . 2.2 mt -64.09 -60.04 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 0.789 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.582 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.1 ttp85 -64.1 -36.15 83.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -59.99 -38.34 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.842 HG22 ' HA2' ' A' ' 73' ' ' GLY . 76.6 t -73.89 -39.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 118' ' ' LEU . 9.3 t -72.93 -28.95 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . . . -75.93 -36.97 59.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.34 -48.39 15.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 121' ' ' VAL . 5.0 mt -78.96 -21.97 46.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.648 ' O ' HG22 ' A' ' 127' ' ' THR . . . 73.72 1.73 59.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 81.11 130.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.577 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.7 mmtt -159.07 21.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.72 ' O ' HD11 ' A' ' 108' ' ' ILE . 2.1 t70 89.63 22.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.87 ' CE2' HG22 ' A' ' 122' ' ' VAL . 1.6 p90 -47.76 169.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.536 ' OE1' HG22 ' A' ' 91' ' ' ILE . 71.5 mt-30 -112.77 155.47 24.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.454 ' NE ' ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -141.58 149.34 40.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 8.2 t -140.0 85.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.0 mpp_? -92.8 143.97 25.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.004 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.4 mp -100.32 149.65 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 98' ' ' ASP . . . -103.71 105.06 2.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 1.0 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -106.67 104.5 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 151' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.97 98.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -23.66 60.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 1.0 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -78.21 -33.82 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 147' ' ' ALA . 1.2 mt -100.59 49.96 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 11.5 mt-10 -60.31 -102.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.566 ' C ' ' H ' ' A' ' 155' ' ' THR . 13.9 t30 159.83 47.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.701 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.9 OUTLIER -71.48 27.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.637 HG23 ' HG2' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -22.68 -52.12 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.701 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.97 -70.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 161' ' ' GLU . . . -46.49 -41.76 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.703 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -74.67 -30.08 61.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.4 OUTLIER -58.92 -46.05 88.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.726 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.94 -34.48 57.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.898 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.9 mm-40 -76.01 -37.64 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.703 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -52.29 -50.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -28.57 8.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.544 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 11.1 m -61.51 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.907 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -69.09 -50.25 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.907 ' N ' HD13 ' A' ' 165' ' ' ILE . 36.0 m -47.01 -47.04 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -44.65 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -65.23 -49.29 70.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.875 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -67.06 -35.87 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -59.51 -41.93 91.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -67.39 -44.26 79.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.035 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.15 -43.77 87.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.4 m -60.61 -51.59 68.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.71 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.521 ' HA ' ' HB2' ' A' ' 178' ' ' GLU . 0.2 OUTLIER -66.23 -42.12 89.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.8 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.8 tt -54.73 -40.9 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.566 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 42.9 mt -75.47 -29.32 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.521 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -59.04 -63.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -125.51 -71.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -154.4 -179.95 30.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.8 ptt? -89.21 -17.66 28.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -47.91 -48.25 62.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.97 -38.88 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.05 -36.62 84.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.621 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.33 -41.07 66.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.796 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 3.4 m-20 -78.2 -21.49 49.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -95.12 -52.4 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.035 HG21 ' HB2' ' A' ' 172' ' ' ALA . 35.2 t -89.05 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.621 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 23.5 t-80 -67.23 22.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 0.0 109.586 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.796 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -104.43 -34.98 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.71 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.0 -174.31 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -137.37 140.39 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -125.2 136.24 53.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.004 HG13 ' CG1' ' A' ' 91' ' ' ILE . 1.9 t -127.8 139.81 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.906 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -131.06 120.19 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.501 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.92 114.87 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.693 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -102.63 114.71 29.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.17 -154.27 8.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -133.38 119.3 15.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 17.9 Cg_endo -75.08 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.691 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 82.54 -154.36 32.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -118.2 -85.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -49.58 -54.84 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -13.49 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -51.22 -39.37 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 21' ' ' ARG . 22.0 mmt-85 -85.67 -99.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.974 ' HB ' HD23 ' A' ' 151' ' ' LEU . 11.1 p 44.85 13.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 71.98 -10.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 12' ' ' ASN . 25.4 m80 -73.45 16.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.638 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 21' ' ' ARG . 10.9 t-20 -109.94 3.39 20.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.994 HD12 HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -39.2 -63.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -31.66 -60.31 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 33.4 t80 -75.02 -33.73 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.9 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.994 HG23 HD12 ' A' ' 24' ' ' LEU . 13.3 t -69.81 -52.36 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.63 ' HB3' ' HZ1' ' A' ' 64' ' ' LYS . . . -56.67 -45.79 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 18.1 t0 -59.68 -42.4 92.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.77 -62.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.93 -48.99 78.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -60.7 -25.23 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -81.14 -27.83 35.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.06 -41.8 14.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -22.61 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.12 -26.21 18.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.77 144.61 54.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -139.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.689 ' CZ ' HD12 ' A' ' 62' ' ' LEU . 4.1 m-85 -154.15 149.2 26.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -119.35 179.01 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.36 116.29 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 178.68 -150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.657 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 84.43 157.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -40.11 78.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.592 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -68.01 -21.23 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.43 87.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.761 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -166.6 179.6 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 2.8 p -176.93 161.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -158.77 144.77 16.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.06 126.56 36.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -159.92 10.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.429 1.08 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 55' ' ' SER . 4.0 mtp180 -156.33 164.98 37.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 1.1 m 154.31 -175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.014 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.776 ' HA ' HG23 ' A' ' 177' ' ' ILE . . . 38.17 30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 63.36 52.27 48.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.167 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 172.01 160.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.428 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.1 p -62.92 173.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -155.66 125.45 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.2 t -108.32 107.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.778 HD11 ' HZ3' ' A' ' 64' ' ' LYS . 3.0 tm? -103.6 109.08 20.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.535 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -119.64 170.3 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.778 ' HZ3' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 177.35 120.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.775 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.1 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.493 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 33.2 mmt180 -85.02 -82.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.18 -21.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 59.79 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.693 ' HA ' HD13 ' A' ' 10' ' ' LEU . 52.3 ttm -25.18 -89.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' N ' ' HG2' ' A' ' 69' ' ' MET . 7.0 m120 -72.22 -37.83 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.3 tt0 -58.49 -31.25 67.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.901 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.4 t -79.39 -57.84 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.94 -50.38 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.971 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.59 -46.75 45.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.5 tt0 -43.17 -51.89 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.236 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 55.2 mt -67.67 -46.39 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.971 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.97 -46.24 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.53 -40.99 65.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.68 -50.07 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -18.02 61.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.702 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -74.18 -45.08 50.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.34 -15.02 41.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 p 54.96 50.95 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.589 HG22 ' OD1' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -97.99 161.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -83.87 155.29 64.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.668 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -5.25 16.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.07 -15.23 58.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.381 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -109.21 -14.28 14.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.43 124.79 41.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.004 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -138.5 116.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.906 HG22 ' CG2' ' A' ' 8' ' ' VAL . 4.5 t -107.4 132.54 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.766 HD11 HD11 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -112.77 143.64 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.794 ' O ' HD12 ' A' ' 135' ' ' ILE . 2.2 t60 -149.61 168.73 22.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.431 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -100.32 144.22 29.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' CG ' ' CE1' ' A' ' 115' ' ' HIS . 3.5 t0 -150.91 167.55 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.35 104.95 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -98.25 -81.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 -72.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 138' ' ' GLY . 13.3 tt0 -85.87 163.15 18.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -93.79 43.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.44 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -175.88 52.54 0.12 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.829 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.5 mmm-85 -133.95 156.67 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 165' ' ' ILE . 1.6 pp -118.15 161.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.25 105.32 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.845 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.6 129.91 53.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.614 1.196 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -151.54 -179.43 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.756 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -134.59 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.575 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.11 -68.91 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -67.42 123.1 19.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 154.04 171.02 20.64 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 64.86 152.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.792 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.34 -63.28 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -94.52 -49.42 2.36 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.475 ' CE1' ' CG ' ' A' ' 96' ' ' ASP . 18.5 m170 -42.92 127.19 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.727 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.39 -47.3 76.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.28 -57.25 20.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.567 1.167 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.403 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 10.8 mt -53.31 -42.69 66.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.491 ' O ' HG12 ' A' ' 122' ' ' VAL . 4.6 ttm180 -59.78 -38.02 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.1 t -71.67 -30.01 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.033 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 1.077 HG13 HD12 ' A' ' 125' ' ' LEU . 2.3 t -69.59 -44.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.606 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.89 -37.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.74 -37.31 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.64 -50.44 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 1.077 HD12 HG13 ' A' ' 121' ' ' VAL . 20.0 mt -77.72 -21.67 51.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.606 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.24 1.39 63.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 122' ' ' VAL . 0.4 OUTLIER 77.42 118.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 56.6 mmtt -141.02 8.53 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.756 ' O ' HD11 ' A' ' 108' ' ' ILE . 3.0 m-20 92.97 20.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.757 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 54.8 m-85 -54.84 150.46 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.428 ' C ' ' HG2' ' A' ' 132' ' ' ARG . 15.5 mt-30 -84.35 157.31 21.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 9.1 mtt180 -141.84 150.83 42.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 133' ' ' VAL . 3.8 t -137.48 84.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.2 mtp180 -87.99 144.15 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.829 HG23 ' O ' ' A' ' 103' ' ' ARG . 4.9 mp -98.77 148.42 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -109.73 96.18 0.93 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.611 1.194 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.542 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -114.08 62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.4 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.94 98.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.445 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 0.3 OUTLIER -68.34 -25.71 65.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 147' ' ' ALA . 0.4 OUTLIER -77.8 -30.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.974 HD23 ' HB ' ' A' ' 20' ' ' THR . 1.2 mt -111.16 34.85 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 1.2 mm-40 -68.4 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.632 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.7 t-20 157.48 51.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.817 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -67.17 27.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.632 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.13 -51.87 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.716 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.817 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.15 -41.39 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.394 1.059 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.585 ' O ' ' N ' ' A' ' 162' ' ' VAL . 13.9 mt-10 -73.42 -32.26 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.033 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.62 -42.26 87.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.711 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.31 -34.45 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 1.024 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.4 mm-40 -74.71 -36.51 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -55.42 -51.93 75.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.033 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.97 -25.36 12.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -65.07 -61.63 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.024 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -65.9 -54.5 26.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.733 ' N ' HD13 ' A' ' 165' ' ' ILE . 76.8 m -46.01 -44.8 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 108.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -59.48 -45.19 92.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.591 ' HG3' ' N ' ' A' ' 169' ' ' ALA . 1.7 pt20 -66.34 -41.89 88.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.62 -37.82 80.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.38 -37.48 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.9 m-20 -67.25 -45.02 77.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.083 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.78 -41.4 82.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.7 m -65.02 -51.87 59.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.524 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -55.93 -48.62 75.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.524 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -62.53 -38.6 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.3 tt -54.51 -46.35 73.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 56' ' ' ALA . 8.8 mt -67.83 -34.18 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.37 -48.13 77.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -144.88 -71.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.459 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -157.67 177.03 34.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 21.1 ptp -86.45 -19.15 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 0.731 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.4 mt-10 -40.96 -50.72 7.6 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.95 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.51 1.795 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.51 -39.81 94.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.552 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -71.65 -39.91 70.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.092 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.963 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 53.7 t30 -78.78 -22.01 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.81 -53.67 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.083 HG21 ' HB2' ' A' ' 172' ' ' ALA . 40.5 t -87.02 -58.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -70.43 22.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.963 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -89.18 -49.97 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.592 ' CZ2' ' HG2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.05 130.73 13.48 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.437 HD11 ' NE ' ' A' ' 58' ' ' ARG . 0.9 OUTLIER -133.87 141.37 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -109.17 145.8 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.961 HG12 ' CG1' ' A' ' 91' ' ' ILE . 15.8 m -131.77 139.26 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -127.84 124.88 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -91.74 110.18 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.844 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -93.29 99.22 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.61 -147.1 8.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.554 1.159 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.569 ' ND2' ' CG ' ' A' ' 22' ' ' HIS . 3.0 m-20 -136.03 120.37 12.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.01 114.78 4.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.427 1.751 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 55.12 -154.99 9.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 71.29 134.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 0.776 . . . . 0.0 109.285 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -65.07 -11.95 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.795 ' CD1' HD22 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -70.26 -17.69 63.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.04 70.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -49.95 -30.42 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -78.42 28.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.758 ' NH1' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER 63.59 15.58 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.7 ' CE1' HD21 ' A' ' 151' ' ' LEU . 1.9 t-160 -66.07 8.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.4 t-20 -129.76 38.17 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -59.93 -42.91 94.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.34 -55.59 21.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -78.4 -22.92 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.758 HG21 ' NH1' ' A' ' 21' ' ' ARG . 7.0 t -74.9 -38.51 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.543 HG11 HD12 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -76.85 -42.35 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.06 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.79 -44.96 91.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.4 t70 -67.56 -37.65 82.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -54.63 -56.96 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.39 -48.03 80.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.779 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -70.87 -41.15 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -80.06 -43.24 22.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.06 -166.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.76 -16.56 70.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 33' ' ' ALA . . . 39.07 101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -142.69 31.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HA ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -82.53 -163.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 111.055 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -151.07 -166.63 2.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 1.056 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -173.0 144.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ALA . 16.9 t-80 -143.24 177.28 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.554 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -85.87 -165.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' LYS . 14.0 ttt85 36.22 -143.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.486 ' C ' HD11 ' A' ' 79' ' ' LEU . 40.7 p -70.5 53.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -130.67 -66.86 0.1 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 47.39 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.8 mt-10 -73.6 142.96 46.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 33.3 m -153.95 120.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.624 ' HA ' ' HB2' ' A' ' 40' ' ' PHE . . . -119.55 110.08 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.75 125.02 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.42 120.41 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 118.45 11.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' GLY . 82.8 p -179.11 -172.45 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.33 31.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 59.35 57.03 21.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HB2' ' CG2' ' A' ' 177' ' ' ILE . 0.0 OUTLIER -174.5 156.08 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.91 168.05 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 60' ' ' LEU . 3.5 pp -171.39 111.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.598 HG11 HD11 ' A' ' 6' ' ' LEU . 7.1 t -103.92 99.61 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.06 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.4 tm? -89.43 110.05 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -127.52 171.06 11.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HG2' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER 177.99 123.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.624 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.98 -153.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.431 1.753 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 26.5 mmt85 -81.36 -84.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.704 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.08 -17.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.664 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.629 ' CA ' HD13 ' A' ' 10' ' ' LEU . 18.8 ttm -37.89 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.6 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 6.7 t-20 -60.85 -38.84 86.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.704 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 1.6 tp10 -52.64 -45.35 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 68' ' ' TYR . 46.2 t -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.933 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.737 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.83 -51.73 8.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.987 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.95 -54.89 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.59 ' O ' ' CG ' ' A' ' 79' ' ' LEU . 10.3 mm-40 -42.66 -48.66 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.73 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.4 mm -67.25 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.09 -69.49 0.15 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.571 1.17 . . . . 0.0 111.064 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.987 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.97 -40.01 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.809 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.12 -50.46 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -15.95 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.3 t80 -75.67 -44.17 43.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.97 2.75 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.3 m 51.77 46.5 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 86' ' ' ALA . 27.4 t -118.37 155.43 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -84.06 158.14 61.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.55 ' HB2' ' HB3' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.09 -22.26 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -8.14 3.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.7 m-20 -106.13 -19.49 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 34.3 mt -86.87 134.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.961 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -133.55 120.13 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 2.5 p -102.24 123.47 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.543 HD12 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -101.77 140.36 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 1.055 ' O ' HD12 ' A' ' 135' ' ' ILE . 7.6 t-160 -145.4 176.67 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.469 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -108.57 142.13 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.733 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -157.0 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.088 HD22 HG23 ' A' ' 150' ' ' VAL . 2.5 pt? -104.97 116.11 31.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 138' ' ' GLY . 36.4 m-20 -102.13 -80.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 138' ' ' GLY . 24.2 mt -129.13 -79.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 138' ' ' GLY . 37.7 mp0 -90.29 168.56 11.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CE1' HG12 ' A' ' 137' ' ' ILE . 6.2 m-85 -92.39 85.39 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.34 46.8 0.03 OUTLIER Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 135' ' ' ILE . 1.6 tmm_? -133.59 154.49 50.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.886 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.4 pp -118.84 154.49 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 134' ' ' ARG . 17.5 ttt180 -137.49 104.51 5.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.91 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.38 125.67 51.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.073 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -141.95 161.98 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -108.03 -54.66 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.523 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -83.24 -44.84 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 36.38 -127.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.4 89.13 0.1 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.53 -47.83 1.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.01 109.89 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.25 61.81 0.64 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.451 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 172.85 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 0.729 . . . . 0.0 109.601 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 120' ' ' SER . 7.2 m120 -72.88 -41.92 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -66.52 -55.13 19.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.055 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 122' ' ' VAL . 15.7 mt -57.08 -52.59 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.8 m -70.86 -30.78 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.737 HG22 ' HA2' ' A' ' 73' ' ' GLY . 53.6 t -71.63 -41.98 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 127' ' ' THR . 11.5 t -73.62 -29.54 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.54 -36.61 63.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -76.63 -46.68 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.809 HD21 ' CB ' ' A' ' 80' ' ' ALA . 6.3 mt -78.87 -22.33 46.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.7 4.5 61.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.723 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.9 t -138.28 161.18 37.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.602 ' HD3' ' C ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -121.55 21.98 10.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -72.9 -3.31 24.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.607 ' CE2' ' HG3' ' A' ' 132' ' ' ARG . 2.3 p90 -82.0 176.53 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.465 ' HG2' ' HB ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -124.93 165.36 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.607 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -142.5 150.44 40.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 106' ' ' LEU . 11.5 t -124.29 85.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.2 mtp180 -86.96 144.62 26.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.055 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -98.54 148.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.5 ' HA3' ' HB2' ' A' ' 98' ' ' ASP . . . -112.84 96.65 0.83 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.733 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -107.86 101.7 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.473 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.25 84.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.31 -19.89 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 1.088 HG23 HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -79.52 -37.43 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.249 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' A' ' 17' ' ' TYR . 2.8 mt -106.73 51.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.4 mt-10 -66.27 -104.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 16.7 t30 150.78 46.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.817 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -72.21 28.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.598 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -20.47 -53.06 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.691 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -71.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.817 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -40.44 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.747 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.8 mt-10 -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.44 -45.5 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.721 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.65 -35.65 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.2 mm-40 -76.82 -36.1 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.747 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.1 t -52.32 -50.71 78.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -30.47 7.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.494 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 14.6 m -56.54 -51.91 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.987 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -81.67 -46.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.987 ' N ' HD13 ' A' ' 165' ' ' ILE . 23.6 m -49.01 -48.59 43.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 8.6 pt-20 -68.78 -47.11 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.954 ' HG2' HG13 ' A' ' 188' ' ' VAL . 6.1 tt0 -60.19 -48.87 79.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.886 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -64.68 -41.52 96.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.37 -38.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 6.2 m-20 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.075 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.31 -42.11 81.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -66.07 -53.92 32.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.29 -43.3 83.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -67.35 -41.43 85.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.8 tt -52.75 -43.49 65.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 49.2 mt -77.39 -27.66 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -67.2 -31.77 72.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -155.56 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -162.43 173.77 38.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.426 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 0.9 OUTLIER -85.49 -24.11 27.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 0.753 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -39.49 -51.57 4.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.98 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.53 -39.51 93.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.576 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.0 tt0 -72.49 -39.56 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.746 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 57.0 t30 -79.06 -20.07 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 183' ' ' PRO . 3.8 ttt180 -97.28 -53.21 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.075 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.1 t -87.54 -57.58 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.576 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -69.11 23.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.45 60.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.556 ' CD1' ' OE1' ' A' ' 168' ' ' GLN . 23.6 m-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.543 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.97 163.44 35.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.396 1.735 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.82 164.72 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.568 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -106.8 144.19 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.842 HG13 ' CG1' ' A' ' 91' ' ' ILE . 15.0 t -125.6 143.55 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.86 120.06 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.74 110.22 3.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.057 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.67 115.48 28.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.566 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.33 -144.39 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.01 116.43 11.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.37 6.69 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -67.09 -120.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 173.06 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -46.64 -43.18 17.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.857 ' CE2' HD21 ' A' ' 151' ' ' LEU . 5.0 t80 -88.37 -19.14 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.72 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 21' ' ' ARG . 6.2 tpt180 -58.18 -12.94 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 17' ' ' TYR . 48.9 p -77.24 21.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.804 ' NH1' HG22 ' A' ' 162' ' ' VAL . 1.6 mmm180 65.48 7.49 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -68.25 10.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.586 ' H ' ' C ' ' A' ' 21' ' ' ARG . 62.5 t30 -119.44 11.72 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.888 ' HB3' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -40.8 -46.13 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.499 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -49.18 -58.74 7.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 2.7 t80 -79.9 -19.88 47.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 0.785 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.1 t -75.24 -42.35 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 24' ' ' LEU . 1.8 t -78.84 -36.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.625 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.62 -44.3 94.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 26' ' ' PHE . 1.8 m-20 -68.29 -46.86 69.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.83 -56.42 12.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.07 -49.56 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.97 -45.04 96.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.69 -40.01 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -47.54 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -173.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -85.65 41.4 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.749 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -29.63 119.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.58 35.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HA ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.1 -164.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -152.74 -165.72 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.98 52.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.14 109.95 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.545 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -72.53 -60.71 2.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.235 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -36.81 -45.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.679 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -86.01 -49.89 7.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.5 65.57 0.9 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.57 170.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.48 148.01 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.552 HG12 ' HB2' ' A' ' 63' ' ' ALA . 2.3 m -142.29 119.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.624 ' HA ' ' HB2' ' A' ' 40' ' ' PHE . . . -120.91 107.12 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 1.004 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -100.46 125.42 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.98 -161.93 8.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -149.19 169.82 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.222 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER 157.69 172.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 46.02 22.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 70.18 49.69 31.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -179.38 152.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.543 ' CB ' ' HB3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -79.0 171.8 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.2 129.57 5.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.004 HG22 HG22 ' A' ' 52' ' ' THR . 32.7 t -106.63 102.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -101.03 113.26 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.552 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -127.08 175.06 8.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.25 122.39 0.21 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.697 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 -154.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.5 ' C ' ' N ' ' A' ' 68' ' ' TYR . 7.4 mmt180 -84.74 -87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -45.85 -21.44 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.878 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 62.49 -81.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.641 ' N ' HD13 ' A' ' 10' ' ' LEU . 7.8 ttm -29.18 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' N ' ' HG2' ' A' ' 69' ' ' MET . 56.9 m-20 -64.57 -35.88 82.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.4 mt-10 -59.69 -30.23 68.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.878 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.4 t -77.26 -57.64 3.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.858 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -43.78 -50.72 7.15 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.507 1.129 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.27 -48.57 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.385 0.697 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 3.8 tp60 -41.55 -50.83 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.744 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.7 mt -68.26 -44.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.0 -67.5 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.91 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.446 1.761 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.3 -40.74 64.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.744 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -48.95 65.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -17.43 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.746 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -73.36 -45.79 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.541 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 27.8 m-85 -89.0 -15.85 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.4 p 55.27 53.07 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.058 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.632 HG12 ' H ' ' A' ' 86' ' ' ALA . 2.7 t -101.42 176.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.632 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -80.62 124.76 81.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.944 ' O ' HG22 ' A' ' 90' ' ' ILE . 18.5 Cg_endo -74.97 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.41 1.12 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.781 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-20 -116.23 1.88 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.944 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -93.27 128.16 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.842 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -126.14 114.98 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.462 ' HA ' HG23 ' A' ' 8' ' ' VAL . 9.0 p -103.42 124.96 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.536 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -108.37 148.38 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 1.057 ' CE1' HD11 ' A' ' 10' ' ' LEU . 1.4 t60 -157.11 169.23 25.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.523 ' OD2' ' CB ' ' A' ' 21' ' ' ARG . 11.5 t0 -100.68 143.56 30.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.6 t0 -157.74 154.32 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.1 pt? -86.61 96.77 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -89.9 -70.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.439 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -132.68 -94.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -90.5 171.57 9.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 149' ' ' PHE . 1.6 m-85 -92.52 105.26 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.627 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 126.77 39.97 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.777 ' O ' HG23 ' A' ' 135' ' ' ILE . 2.0 mmm-85 -133.04 156.82 46.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.786 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.8 pp -120.33 161.54 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.0 ttm180 -149.77 105.64 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.82 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.75 131.71 51.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.43 179.09 8.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.747 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.4 tp -120.89 -89.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.747 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -65.17 -50.29 57.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.05 76.52 0.73 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -138.53 -160.72 8.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 49.38 77.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.05 54.63 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.24 60.26 2.42 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.437 ' NE2' ' OD2' ' A' ' 96' ' ' ASP . 2.0 m-70 -130.45 118.55 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 109.586 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -58.39 -37.33 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.5 -64.89 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.708 ' O ' HG12 ' A' ' 121' ' ' VAL . 6.2 mt -53.69 -50.11 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.1 ttt180 -58.71 -31.1 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.2 m -75.19 -28.17 59.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.858 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -70.87 -43.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.388 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.694 HG23 ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -67.6 -46.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -68.51 -38.69 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -64.63 -43.39 93.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -80.33 -23.59 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 65.16 7.88 33.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.97 -153.38 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -173.66 35.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 11.1 m-20 -135.7 97.76 3.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CE1' HG23 ' A' ' 122' ' ' VAL . 19.1 p90 -175.72 -179.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -127.55 164.45 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.518 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -144.42 150.66 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.621 HG22 ' HB2' ' A' ' 106' ' ' LEU . 17.5 t -121.76 89.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mtp85 -88.28 143.29 27.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.888 HD13 ' HB3' ' A' ' 24' ' ' LEU . 4.9 mp -102.94 147.57 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -99.71 104.66 2.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.61 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.3 pp -115.14 89.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.54 92.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 101' ' ' PHE . 1.6 t80 -77.31 -27.25 52.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.548 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -68.98 -30.45 46.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.857 HD21 ' CE2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -81.96 9.43 8.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.641 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 tp10 -106.59 -119.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.641 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 5.5 t30 144.42 145.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.84 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -78.49 39.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -12.01 -56.28 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.741 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 17.9 Cg_endo -75.08 -82.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.84 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -43.94 -26.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.892 ' HG2' HG23 ' A' ' 162' ' ' VAL . 2.0 tt0 -77.71 -40.95 39.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.015 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.35 -42.07 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.588 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.06 -35.56 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.668 ' O ' ' N ' ' A' ' 165' ' ' ILE . 3.0 tt0 -79.06 -35.0 43.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.892 HG23 ' HG2' ' A' ' 158' ' ' GLU . 1.1 t -52.16 -54.06 45.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.015 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.0 Cg_endo -75.03 -34.93 3.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.801 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 17.7 m -71.9 -40.34 68.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.668 ' N ' ' O ' ' A' ' 161' ' ' GLU . 4.3 tp -76.06 -57.83 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.561 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 69.6 m -45.97 -48.48 16.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.18 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 4.1 tt0 -61.16 -47.79 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.669 ' HB3' HG13 ' A' ' 188' ' ' VAL . 3.0 mm100 -62.2 -48.57 79.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.786 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.63 -38.48 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.32 74.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 m-20 -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.903 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.72 -39.28 84.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.8 m -62.39 -51.81 66.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -55.92 -48.03 76.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.57 HD23 ' HG2' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -64.61 -34.73 78.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 181' ' ' MET . 7.1 tp -54.65 -54.52 40.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.6 mm -72.47 -22.93 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.232 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -69.16 -72.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -114.4 -73.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.54 -159.57 9.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.664 ' HB3' HD11 ' A' ' 176' ' ' LEU . 1.0 OUTLIER -105.59 -20.37 13.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.933 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.564 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -47.81 -48.14 61.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.57 ' HG2' HD23 ' A' ' 175' ' ' LEU . 18.3 Cg_endo -75.07 -38.57 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.69 -40.33 92.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.562 ' O ' ' C ' ' A' ' 189' ' ' HIS . 1.8 tt0 -69.9 -39.57 76.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.976 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.9 t-20 -79.9 -22.23 43.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.9 ttt180 -93.37 -53.81 3.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.903 HG21 ' HB2' ' A' ' 172' ' ' ALA . 79.2 t -88.47 -57.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.562 ' C ' ' O ' ' A' ' 185' ' ' GLN . 41.2 t-80 -70.83 14.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.976 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -68.1 -32.92 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 191' ' ' TRP . 5.1 p-90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 107.975 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.22 42.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -129.61 137.98 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.784 HD22 HG12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -107.34 145.83 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.387 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.889 HG12 HG12 ' A' ' 91' ' ' ILE . 10.0 m -135.66 140.62 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.805 HG23 HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -130.88 125.18 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.482 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -90.71 107.92 3.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -88.05 94.95 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.4 -151.11 9.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -134.49 126.55 18.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 -0.19 9.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.74 -150.37 0.21 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.563 1.164 . . . . 0.0 111.055 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.96 -78.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 0.796 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -48.92 -35.78 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.601 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -94.27 -19.29 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.55 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -46.5 -24.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 152' ' ' GLU . 12.1 p -77.11 30.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.611 ' C ' ' H ' ' A' ' 23' ' ' ASN . 2.2 mtt180 63.55 10.46 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.471 ' ND1' ' CD2' ' A' ' 151' ' ' LEU . 0.9 OUTLIER -64.54 7.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.611 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.3 t-20 -122.92 19.6 10.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.742 HD13 HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -37.58 -47.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.518 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.09 -58.31 10.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 8.9 t80 -77.23 -20.83 54.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -75.0 -42.06 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.742 HG23 HD13 ' A' ' 24' ' ' LEU . 4.0 t -73.39 -48.54 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.37 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.965 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.21 -45.42 79.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -61.08 -48.95 79.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -49.87 -59.88 3.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.1 mt -51.75 -50.13 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -61.08 -44.72 96.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -49.49 -40.13 36.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -52.89 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.87 -174.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -86.31 41.06 3.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.796 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -28.74 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.41 75.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.985 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -141.0 -156.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -157.21 -164.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.79 125.46 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -59.62 110.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -68.77 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -40.16 -39.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.565 ' OG ' HD11 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -82.57 -50.69 8.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.47 54.49 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HB2' ' OE1' ' A' ' 75' ' ' GLN . . . -167.96 165.82 13.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.591 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.7 mt-10 -80.1 144.66 32.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 3.8 m -141.41 113.68 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.985 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -116.02 111.47 20.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.33 125.94 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.47 125.65 4.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -140.91 96.15 2.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -166.76 -160.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.947 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.623 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 43.14 27.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . 63.18 43.87 97.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.168 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 178.41 151.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.313 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.684 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -80.79 179.35 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -178.02 112.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.629 HG11 HD11 ' A' ' 6' ' ' LEU . 55.8 t -101.99 103.68 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.965 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tm? -97.42 110.35 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -128.7 171.38 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -179.16 123.47 0.24 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.652 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.09 -156.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' C ' ' N ' ' A' ' 68' ' ' TYR . 25.0 mmt180 -82.21 -84.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.675 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.02 -17.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.7 m-85 60.95 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.9 ' HA ' HD13 ' A' ' 10' ' ' LEU . 31.1 ttm -38.42 -96.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 69' ' ' MET . 43.8 m-20 -59.87 -34.55 73.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.675 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.8 OUTLIER -56.87 -45.17 82.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.7 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -65.02 -55.27 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.885 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -41.2 -53.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.19 -46.87 21.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 0.811 . . . . 0.0 110.296 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.709 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.9 mm-40 -49.24 -47.5 46.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.813 HG21 HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -67.37 -48.45 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.386 1.054 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.01 -65.81 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.04 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' OG ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.93 -50.76 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -16.13 61.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -75.3 -44.76 43.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.9 m-85 -81.36 4.01 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.6 t 50.62 45.03 27.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.507 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 22.2 t -120.92 151.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.55 155.67 68.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HA ' ' HB ' ' A' ' 90' ' ' ILE . 18.6 Cg_endo -75.0 -9.91 20.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.39 55.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.682 ' O ' ' N ' ' A' ' 6' ' ' LEU . 2.2 p30 -107.09 -19.47 13.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.784 HG12 HD22 ' A' ' 6' ' ' LEU . 14.6 mt -87.04 130.89 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.889 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -133.19 142.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 8' ' ' VAL . 46.2 t -119.59 123.72 71.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.34 141.74 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.923 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.9 t60 -148.95 -179.92 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.28 144.17 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' HD11 ' A' ' 137' ' ' ILE . 5.8 t0 -149.59 170.97 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -103.23 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.48 -85.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 mt -137.42 -62.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.6 mt-10 -89.53 164.55 14.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -92.38 14.27 17.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -151.43 59.88 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 135' ' ' ILE . 76.5 mmt-85 -136.12 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.975 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.1 pp -122.19 161.53 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 134' ' ' ARG . 7.5 ttt180 -147.85 108.19 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.824 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.9 140.94 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -155.96 173.02 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.702 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.7 OUTLIER -102.97 -104.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.702 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.28 -41.47 39.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 45.05 -92.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 109' ' ' GLY . . . 131.21 42.16 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.804 ' CD ' HG21 ' A' ' 122' ' ' VAL . 1.9 mp0 39.45 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -36.8 -61.99 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . 173.87 78.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.831 ' HB2' HD12 ' A' ' 118' ' ' LEU . 58.3 m80 -157.16 135.92 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 120' ' ' SER . 0.5 OUTLIER -62.29 -24.22 67.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.511 ' CA ' ' HG2' ' A' ' 69' ' ' MET . . . -66.31 -64.75 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -54.54 -49.79 69.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -33.93 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 7.8 t -69.84 -29.54 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.885 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.64 -41.83 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.804 HG21 ' CD ' ' A' ' 112' ' ' GLU . 26.0 t -65.18 -39.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.01 -40.34 71.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -72.19 -39.54 68.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.813 HD11 HG21 ' A' ' 76' ' ' ILE . 5.8 mt -79.89 -22.19 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.01 6.48 73.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 71.86 133.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 110.347 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.1 tmtt? 176.21 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.6 m-20 82.1 102.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -135.77 160.29 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.695 ' HB2' HG22 ' A' ' 91' ' ' ILE . 83.3 mt-30 -111.74 154.1 25.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -142.01 148.8 39.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.9 t -140.86 85.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -91.3 145.33 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.9 mp -97.28 149.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -106.82 98.39 1.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -115.83 65.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.45 -39.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.581 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -73.9 -34.8 64.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -61.14 -36.05 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.247 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.601 HD13 ' HE1' ' A' ' 17' ' ' TYR . 39.3 mt -101.25 36.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' ' 149' ' ' PHE . 0.8 OUTLIER -68.32 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.167 . . . . 0.0 110.299 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.613 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.9 t30 159.41 48.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.831 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -68.45 28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.613 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.95 -51.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.455 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.719 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -74.98 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.831 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.76 -42.16 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.238 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.1 mt-10 -74.5 -30.03 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.971 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.21 -46.16 83.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.755 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.75 -33.97 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 1.05 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.4 tp10 -75.96 -37.39 58.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.3 -49.49 87.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.971 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.01 -28.72 8.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.486 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 22.2 m -64.77 -58.99 4.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.05 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.41 -54.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.73 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -46.09 -47.57 17.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 108.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -57.18 -46.23 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.47 ' HB3' HG13 ' A' ' 188' ' ' VAL . 7.2 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.975 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.1 -39.45 82.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.8 73.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.9 t0 -67.33 -44.73 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.033 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.14 -43.43 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.3 m -64.61 -51.15 64.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.406 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -57.44 -46.94 83.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.508 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.5 -35.93 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.4 tt -54.98 -50.6 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 56' ' ' ALA . 47.1 mt -74.86 -24.02 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.79 -32.19 73.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.248 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -158.77 -71.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.409 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.87 176.6 35.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 4.3 ptp -89.62 -17.11 29.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 0.803 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.553 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -47.22 -48.23 55.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -75.04 -40.09 0.99 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.633 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.29 -37.06 85.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.2 tt0 -73.21 -40.35 64.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.88 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 25.4 m-20 -78.93 -19.09 52.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 3.4 ttt180 -98.72 -52.44 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.033 HG21 ' HB2' ' A' ' 172' ' ' ALA . 38.3 t -88.65 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.7 t-80 -54.11 -11.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -116.04 70.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.598 ' CZ3' ' HD2' ' A' ' 103' ' ' ARG . 31.9 m-90 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 107.95 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo -75.03 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -126.84 136.41 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.524 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -114.49 143.7 44.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.952 HG12 ' CG1' ' A' ' 91' ' ' ILE . 5.7 m -134.01 143.02 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.845 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.09 125.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 112.3 4.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.176 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -96.26 113.42 25.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.415 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.33 -156.8 10.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.65 116.11 11.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.61 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.02 -91.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 31.85 -148.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.576 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -123.78 -90.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.39 -44.95 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.959 ' CE2' HD21 ' A' ' 151' ' ' LEU . 1.3 t80 -73.16 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 13' ' ' PRO . . . -49.12 -38.34 24.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.615 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.9 mpt_? -83.46 -97.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.675 ' HB ' HD12 ' A' ' 151' ' ' LEU . 70.7 p 40.19 18.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.6 mmp_? 65.1 -5.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.55 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.7 m80 -74.61 16.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.918 ' OD1' HG23 ' A' ' 27' ' ' VAL . 26.5 t-20 -115.3 2.38 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.869 ' CG ' HD13 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -38.44 -42.94 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.59 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -51.91 -58.03 11.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 8.6 t80 -80.48 -19.86 45.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.918 HG23 ' OD1' ' A' ' 23' ' ' ASN . 1.3 t -74.15 -41.39 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.873 HG22 ' SG ' ' A' ' 166' ' ' CYS . 40.4 t -78.14 -48.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.887 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -59.31 -35.42 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 13.9 t70 -70.64 -50.89 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -53.73 -52.39 60.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -59.26 -54.03 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.43 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -75.88 -34.03 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -43.57 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -36.27 79.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.228 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.15 -2.1 83.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -24.56 135.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -104.81 31.29 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.93 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -57.62 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -174.03 -164.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.602 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -137.4 103.68 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -175.12 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.591 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER 54.38 170.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.55 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.829 ' HB3' HD11 ' A' ' 79' ' ' LEU . 24.1 p -69.22 -42.03 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.007 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 99.18 77.6 1.33 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.839 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 179.88 -178.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.601 0.824 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.5 tt0 -87.75 150.86 23.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.93 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 14.9 p -171.81 158.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.769 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -143.72 125.59 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 125.73 41.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.41 131.19 4.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 5.7 mtp180 -117.54 107.33 14.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 0.737 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.543 ' O ' ' O ' ' A' ' 58' ' ' ARG . 73.8 m -169.35 -172.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 64.92 10.21 6.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 86.9 26.42 31.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.9 mmt-85 -178.47 161.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -76.58 167.82 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -156.64 112.84 3.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.524 HG11 HD11 ' A' ' 6' ' ' LEU . 29.8 t -108.12 105.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.887 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tm? -99.93 112.73 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -115.5 165.29 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -175.05 111.02 0.27 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.839 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.02 -157.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 68' ' ' TYR . 78.0 mmt-85 -87.71 -78.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -51.36 -17.87 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.358 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.738 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.5 m-85 59.63 -77.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 67' ' ' CYS . 31.8 ttm -33.37 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.403 ' OD1' ' HG2' ' A' ' 69' ' ' MET . 76.5 m-20 -69.7 -31.66 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.76 -34.21 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.738 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.4 t -80.45 -50.99 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -48.26 -48.98 26.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.975 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.54 -43.94 37.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 0.819 . . . . 0.0 110.276 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.59 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.1 tm0? -48.08 -50.41 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.792 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.55 -46.41 80.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.47 -68.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.975 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.829 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.43 -40.7 68.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.792 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.34 -49.46 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -16.94 60.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -73.48 -46.12 49.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.527 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 20.7 m-85 -84.77 -16.16 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.1 p 55.36 52.76 10.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 86' ' ' ALA . 4.9 t -96.12 172.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.582 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -83.93 157.64 63.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.73 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.64 6.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.99 -0.31 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.479 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 90.5 m-20 -105.61 -29.59 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.511 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 7.4 mt -91.13 133.04 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.952 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -135.59 139.84 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.845 HG22 ' CG2' ' A' ' 8' ' ' VAL . 61.9 t -120.28 124.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.016 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.2 pt -104.92 143.36 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 1.176 ' CE1' HD11 ' A' ' 10' ' ' LEU . 1.6 t60 -153.33 -178.01 6.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' H ' ' CG ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -105.64 142.16 35.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.582 ' O ' HD13 ' A' ' 137' ' ' ILE . 1.7 t70 -149.77 160.81 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 150' ' ' VAL . 1.8 mp -97.9 102.68 14.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' OD1' HD12 ' A' ' 99' ' ' LEU . 49.6 t0 -94.84 -75.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -134.53 -97.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.201 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.44 179.61 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.29 86.15 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.79 ' O ' HG23 ' A' ' 135' ' ' ILE . 15.7 tpp180 -132.88 158.86 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.971 HD13 ' CB ' ' A' ' 169' ' ' ALA . 0.3 OUTLIER -123.65 161.47 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.4 1.062 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.8 102.05 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.815 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.53 131.43 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -149.92 174.05 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.533 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -94.5 -55.66 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.533 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.12 -45.11 0.83 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.21 -114.44 3.73 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.39 93.91 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.807 ' OE1' HG21 ' A' ' 122' ' ' VAL . 1.8 tm-20 -78.83 72.64 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 0.834 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.84 -89.78 1.96 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -69.02 64.88 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 5.4 m80 -160.51 106.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -62.81 -38.96 92.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.3 -61.69 6.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 122' ' ' VAL . 12.5 mt -51.39 -42.86 61.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 0.722 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -62.66 -36.24 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.163 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.43 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 125' ' ' LEU . 2.8 t -69.14 -44.23 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.807 HG21 ' OE1' ' A' ' 112' ' ' GLU . 15.1 t -72.52 -26.32 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.79 65.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.06 -43.98 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 130' ' ' PHE . 20.8 mt -78.47 -22.82 46.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.15 5.46 62.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 81.94 120.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.602 ' HB2' ' CE2' ' A' ' 130' ' ' PHE . 36.1 mmtt -141.0 14.4 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 7.9 t0 80.52 17.17 0.62 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.831 ' CD2' HD13 ' A' ' 125' ' ' LEU . 38.3 m-85 -49.44 171.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.568 ' HB2' HG22 ' A' ' 91' ' ' ILE . 24.0 mt-30 -104.47 156.63 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.554 ' NH2' HG22 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -140.42 149.61 42.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 1.016 ' HB ' HG22 ' A' ' 93' ' ' ILE . 3.1 t -134.29 86.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -91.41 143.48 26.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.869 HD13 ' CG ' ' A' ' 24' ' ' LEU . 2.7 mp -98.92 150.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -102.51 96.35 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.631 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.64 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.17 98.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 4.2 t80 -74.96 -19.09 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.664 HG23 HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -81.89 -29.14 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.959 HD21 ' CE2' ' A' ' 17' ' ' TYR . 3.4 mp -89.83 38.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.645 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.8 mm-40 -67.27 -104.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.1 t30 142.85 45.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.856 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -73.26 29.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.63 -53.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.715 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.08 -72.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.856 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.33 9.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 162' ' ' VAL . 17.9 mt-10 -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.003 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.6 OUTLIER -58.67 -43.4 89.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.714 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.8 -34.32 45.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.8 mm-40 -75.23 -36.85 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.637 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.4 t -54.68 -51.47 78.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.003 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -25.5 11.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.537 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -60.74 -57.03 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.724 HG13 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -75.13 -55.15 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.873 ' SG ' HG22 ' A' ' 28' ' ' VAL . 62.6 m -40.69 -43.97 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.9 tt0 -69.49 -44.83 70.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 165' ' ' ILE . 0.6 OUTLIER -64.27 -50.11 69.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.971 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -64.75 -36.16 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -60.95 -40.44 93.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.2 t0 -66.94 -43.17 83.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.43 -42.14 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.2 m -62.78 -52.45 63.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.1 pt-20 -58.14 -47.2 84.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.501 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -65.46 -41.55 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.4 tt -50.22 -50.7 48.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 23.8 mt -75.68 -23.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -65.24 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -160.7 -71.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -155.19 173.37 33.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.4 ptt? -90.01 -17.48 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -48.87 -47.44 73.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.01 -38.79 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.654 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.64 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.397 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.603 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -71.17 -40.67 71.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.801 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 56.1 t30 -78.37 -20.95 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.64 -52.58 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.359 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.037 HG21 ' HB2' ' A' ' 172' ' ' ALA . 36.4 t -87.77 -57.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -68.37 22.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.22 -35.29 7.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.671 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.41 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -74.99 158.88 41.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.534 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -124.56 137.37 54.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.642 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -106.74 146.81 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.877 ' HB ' HD22 ' A' ' 62' ' ' LEU . 40.4 t -129.85 146.23 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.824 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.2 121.17 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.67 113.77 4.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.536 ' HG ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -89.13 90.35 8.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -109.1 -150.75 14.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 22' ' ' HIS . 9.5 t-20 -139.62 126.43 12.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.726 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -9.93 20.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.96 -141.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -164.49 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 0.727 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.472 ' CG ' ' N ' ' A' ' 17' ' ' TYR . 6.2 p30 -43.49 -46.29 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -88.8 -19.77 25.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.937 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.69 -28.24 62.57 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.3 tpt180 -58.45 -58.18 9.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.686 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 71.5 p -30.82 -37.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.76 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 141.43 6.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.37 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -61.54 3.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.659 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.7 t-20 -122.38 40.4 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.999 HD12 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -65.33 -56.37 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.93 -43.27 30.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 7.2 t80 -79.43 -30.68 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.4 t -71.46 -40.39 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 93' ' ' ILE . 2.4 t -71.79 -49.48 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.49 -48.68 71.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -60.04 -44.44 94.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -54.31 -62.44 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 11.4 mt -54.93 -28.63 52.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -73.05 -54.49 8.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.03 -28.73 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -49.82 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -81.8 10.61 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.85 -52.16 0.52 Allowed Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -39.25 138.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -100.75 -141.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 2.5 m-85 -147.97 148.22 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -121.8 -164.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' H ' ' CG ' ' A' ' 41' ' ' LYS . . . -128.63 121.24 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 143.7 28.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -79.21 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 1.3 mpt_? 66.68 -63.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.9 m -115.62 -12.07 11.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.94 90.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.6 1.188 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.595 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -166.73 168.92 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.725 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.0 mm-40 -87.83 150.75 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.659 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 3.0 p -174.43 163.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -167.12 145.6 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 127.31 33.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.449 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -118.83 112.0 2.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.96 116.01 30.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 0.729 . . . . 0.0 110.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 174.21 -159.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.936 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.883 ' HB1' HD13 ' A' ' 177' ' ' ILE . . . 41.72 28.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.29 48.51 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER 168.33 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.44 165.48 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.865 HD12 HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -162.09 123.21 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 6' ' ' LEU . 53.5 t -104.78 106.65 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.877 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -94.08 113.4 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -127.89 168.12 15.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 172.36 120.75 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.749 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -154.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.726 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 8.7 mpt_? -80.8 -84.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.593 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.07 -21.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.761 ' O ' ' N ' ' A' ' 72' ' ' SER . 35.7 m-85 61.04 -80.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.515 ' O ' ' O ' ' A' ' 68' ' ' TYR . 2.1 ttm -32.27 -97.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.679 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 21.1 m-20 -62.7 -38.62 91.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.593 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -53.0 -45.69 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.761 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.2 t -65.25 -46.8 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.871 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.49 -52.86 7.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.928 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.17 -51.52 10.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 28.8 mm-40 -44.49 -49.42 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.766 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.67 -48.52 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.13 -67.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.928 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.86 -45.65 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -54.47 -40.77 68.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.805 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.54 -50.08 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -16.73 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -74.51 -44.77 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.416 ' HB3' HG23 ' A' ' 85' ' ' VAL . 6.6 m-85 -80.2 2.15 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.0 t 52.63 45.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 83' ' ' TYR . 77.2 t -112.8 147.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.508 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -82.74 165.14 43.51 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.508 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.3 Cg_endo -75.05 -21.75 15.43 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.558 1.82 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -11.1 38.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 6' ' ' LEU . 65.4 m-20 -110.6 -11.93 14.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 81.8 mt -93.02 135.55 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.815 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -133.81 117.44 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.824 HG22 ' CG2' ' A' ' 8' ' ' VAL . 57.5 t -103.26 122.71 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.684 HD13 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -105.68 145.87 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.818 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -154.14 179.51 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.6 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CG ' ' CD ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -108.02 143.04 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -152.21 152.12 31.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 150' ' ' VAL . 0.4 OUTLIER -89.7 111.95 23.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.647 ' C ' HD12 ' A' ' 99' ' ' LEU . 3.4 t70 -117.7 -68.46 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.647 HD12 ' C ' ' A' ' 98' ' ' ASP . 10.6 mp -124.07 -106.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.455 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -89.61 172.08 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -86.8 64.0 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.555 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . 175.02 46.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.79 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 mmm-85 -138.83 165.2 27.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.026 HG23 HD11 ' A' ' 165' ' ' ILE . 1.1 pp -125.47 157.58 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.612 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -150.1 94.91 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.913 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.45 144.4 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 132' ' ' ARG . 9.2 mtpt -156.99 -178.5 7.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.535 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -127.26 -80.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.535 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -46.14 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.17 133.22 52.77 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 179.26 -97.34 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' GLY . 7.8 tt0 -37.39 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.374 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.28 -64.94 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -145.92 66.05 0.43 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -135.1 129.68 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -64.42 -41.29 96.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.812 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.17 -66.43 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.44 -43.89 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.9 ttt-85 -60.65 -34.86 74.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -73.77 -32.36 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.052 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.871 HG22 ' HA2' ' A' ' 73' ' ' GLY . 3.7 t -74.01 -41.14 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.618 HG22 ' CB ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -65.5 -41.22 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.39 -37.91 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -72.23 -48.04 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.835 HD12 HG12 ' A' ' 121' ' ' VAL . 14.2 mt -78.73 -20.42 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 80.25 2.48 89.17 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.618 ' CB ' HG22 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 69.84 117.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 0.824 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 12.8 mmtt -148.93 17.05 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 5.7 m-20 82.23 95.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 4.4 p90 -125.3 171.96 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -102.33 156.63 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -141.01 151.45 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 106' ' ' LEU . 9.5 t -137.64 86.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.612 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -89.79 145.37 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.999 HD13 HD12 ' A' ' 24' ' ' LEU . 3.5 mp -100.52 149.0 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.13 95.01 1.81 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.783 HD12 HG22 ' A' ' 150' ' ' VAL . 1.4 pp -105.8 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.521 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.81 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.3 t80 -74.58 -22.73 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.783 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -80.4 -27.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 17' ' ' TYR . 3.4 mm? -90.94 39.07 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.0 mm-40 -60.63 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.2 t-20 152.13 47.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.819 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -69.25 32.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.651 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -11.87 -54.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.783 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.0 -81.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.819 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -43.03 -27.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.565 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 1.0 OUTLIER -79.43 -43.37 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.011 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -75.18 -30.77 60.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.641 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.3 -40.7 58.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.962 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.7 mm-40 -78.46 -35.85 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -48.66 -52.78 42.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 109.376 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.011 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -35.2 3.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.622 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -53.95 -53.32 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 110.487 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.026 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -76.76 -50.35 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.902 ' N ' HD13 ' A' ' 165' ' ' ILE . 17.2 m -44.29 -50.37 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -64.81 -46.09 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.538 ' HB3' HG13 ' A' ' 188' ' ' VAL . 2.1 mp0 -60.43 -42.99 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.869 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -67.6 -42.64 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.58 -39.8 68.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 4.5 m-20 -68.49 -45.03 73.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.222 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.914 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -56.73 -43.95 81.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.629 1.206 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -64.9 -53.53 44.99 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.4 pt-20 -59.15 -47.34 85.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.5 OUTLIER -62.74 -39.13 93.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.655 ' C ' HD23 ' A' ' 176' ' ' LEU . 4.6 tt -55.22 -46.99 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.883 HD13 ' HB1' ' A' ' 56' ' ' ALA . 4.0 mt -68.48 -29.91 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.4 OUTLIER -62.44 -41.36 98.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.5 -72.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.21 173.45 35.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.461 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 2.4 ptp -87.46 -16.82 33.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -44.43 -50.03 23.66 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.527 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.9 -38.42 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -64.13 -39.53 94.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' C ' ' A' ' 189' ' ' HIS . 1.6 tt0 -70.38 -40.02 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.921 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 4.4 m-20 -79.61 -23.13 42.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -91.43 -54.36 3.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.222 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.914 HG21 ' HB2' ' A' ' 172' ' ' ALA . 80.8 t -88.28 -56.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.644 ' CE1' ' NH2' ' A' ' 103' ' ' ARG . 23.9 t-80 -73.07 20.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.52 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.921 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -69.16 -41.14 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.615 ' CZ3' ' O ' ' A' ' 188' ' ' VAL . 44.1 p90 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 107.961 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -177.77 3.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -132.63 137.91 47.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.3 137.95 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.567 HG13 ' CG1' ' A' ' 91' ' ' ILE . 21.9 t -127.67 145.26 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.75 119.4 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.433 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -88.45 105.81 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.969 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -92.73 95.43 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -118.77 -151.01 8.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 17.9 t-20 -138.23 128.98 15.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.613 0.831 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -74.97 2.14 6.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.822 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -55.61 -159.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.405 1.065 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.8 -76.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -53.8 -37.35 63.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -18.79 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -29.06 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' C ' ' N ' ' A' ' 21' ' ' ARG . 21.7 mmt180 -53.98 -54.75 34.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.91 HG22 ' OD1' ' A' ' 153' ' ' ASN . 42.1 p -49.47 -14.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.357 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.801 ' NE ' HG22 ' A' ' 162' ' ' VAL . 0.0 OUTLIER 106.98 19.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 12' ' ' ASN . 14.7 t-160 -63.96 5.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.5 t-20 -125.78 43.19 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.587 HD13 ' NE ' ' A' ' 21' ' ' ARG . 1.3 tp -62.49 -66.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.505 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -36.42 -48.07 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.2 -35.51 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.797 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.2 t -65.84 -41.28 89.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 31' ' ' LEU . 38.8 t -69.64 -50.44 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.065 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -53.16 -48.55 67.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 t0 -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.02 -61.07 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.0 mt -50.94 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.69 97.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.375 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -53.86 -37.63 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -44.3 14.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.1 -168.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.85 -17.8 66.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.54 105.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.49 74.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.911 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -144.48 -155.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -165.85 -161.85 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.22 126.14 47.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -63.4 110.4 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -48.15 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.11 -65.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.986 ' CB ' HD11 ' A' ' 79' ' ' LEU . 4.2 p -70.14 -44.57 68.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.31 67.05 0.92 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.565 1.165 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' HIS . . . -173.0 164.37 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.6 mt-10 -77.68 148.28 35.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.305 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 6.4 m -146.09 112.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.911 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -114.65 109.52 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.97 127.62 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.85 127.93 5.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.96 107.06 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -175.2 -162.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.85 26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.24 51.41 56.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 177' ' ' ILE . 0.1 OUTLIER 171.64 153.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 0.803 . . . . 0.0 110.353 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.64 174.8 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.046 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 2.1 pp -173.92 107.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.49 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 40.9 t -98.97 109.56 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.065 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -99.63 113.97 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.455 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -126.93 163.19 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -178.45 121.88 0.25 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.682 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -157.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.1 mmt180 -80.44 -85.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.621 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -43.66 -22.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 108.317 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.722 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.3 m-85 63.92 -80.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.969 ' HA ' HD13 ' A' ' 10' ' ' LEU . 19.7 ttm -38.41 -96.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.55 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 31.9 t-20 -58.54 -37.55 75.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -54.79 -50.68 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.722 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -64.68 -32.19 73.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.937 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -58.89 -50.67 65.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 1.119 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -85.19 -35.18 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 0.805 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 19.6 mm100 -63.08 -46.26 88.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.7 mt -73.75 -49.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -31.79 -61.06 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 1.119 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -48.22 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.428 1.752 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.986 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.09 -41.46 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.682 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -66.97 -49.63 64.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -16.78 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -74.64 -43.89 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.47 -4.03 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t 49.01 46.02 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.858 HG22 ' ND2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -101.44 162.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -81.93 148.8 61.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.648 ' HA ' ' CE1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.98 -9.01 20.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.54 -6.91 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.858 ' ND2' HG22 ' A' ' 85' ' ' VAL . 27.0 p30 -112.12 -18.07 12.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.58 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -86.13 129.46 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.567 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -139.6 120.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.8 p -104.79 131.66 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.592 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -111.51 144.19 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.572 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 2.2 t60 -156.92 171.7 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.623 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.513 ' HB2' HG21 ' A' ' 137' ' ' ILE . 1.4 p30 -95.31 139.95 30.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.666 ' CG ' ' HE2' ' A' ' 115' ' ' HIS . 6.4 t0 -146.03 160.8 41.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -94.9 114.3 26.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.513 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -117.34 -76.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 98' ' ' ASP . 8.3 mp -130.06 -98.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.436 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -90.31 174.58 7.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.61 ' CE1' ' CG1' ' A' ' 137' ' ' ILE . 1.4 m-85 -94.22 90.05 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.739 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 150.2 41.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.921 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.8 mmm-85 -136.5 154.93 50.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.954 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.8 pp -116.81 160.42 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.4 tpm_? -149.08 104.96 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.802 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.0 139.54 38.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -152.68 171.33 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -95.64 -55.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -108.72 -57.78 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.35 -109.06 1.35 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.5 134.86 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -96.24 33.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.18 108.1 2.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.62 1.3 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.666 ' HE2' ' CG ' ' A' ' 96' ' ' ASP . 1.5 m80 -64.79 100.88 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 0.81 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.0 m-20 -58.61 -47.78 83.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.71 -55.15 24.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.416 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 11.2 mt -58.49 -49.44 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.88 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 116' ' ' ASN . 7.4 t -69.7 -39.18 77.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.637 HG13 HD12 ' A' ' 125' ' ' LEU . 3.6 t -65.51 -43.52 94.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.594 HG13 ' CB ' ' A' ' 127' ' ' THR . 75.8 t -73.31 -24.32 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.2 64.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.42 -45.16 10.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 1.092 HD13 ' CE2' ' A' ' 130' ' ' PHE . 21.2 mt -78.17 -23.36 47.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 72.08 5.83 62.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.594 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 78.43 119.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 0.722 . . . . 0.0 110.431 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 40.2 mmtt -136.83 16.07 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.657 ' O ' HD11 ' A' ' 108' ' ' ILE . 16.5 m-20 91.64 6.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 1.092 ' CE2' HD13 ' A' ' 125' ' ' LEU . 17.5 m-85 -43.25 167.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.464 ' HB2' HG22 ' A' ' 91' ' ' ILE . 38.7 mt-30 -108.04 158.17 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -142.06 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.8 t -132.8 86.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 105' ' ' ARG . 10.3 mtp180 -88.39 145.82 25.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.921 HG23 ' O ' ' A' ' 103' ' ' ARG . 4.0 mp -104.41 149.75 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.37 105.74 3.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.747 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -111.96 101.53 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.95 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.26 -32.45 62.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.747 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -65.31 -36.5 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.227 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.618 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -92.08 43.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.1 mm-40 -54.88 -48.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.91 ' OD1' HG22 ' A' ' 20' ' ' THR . 9.8 m-20 91.13 44.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.678 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 1.1 m-85 -70.22 18.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.2 OUTLIER -22.27 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.678 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -66.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.638 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -49.3 -43.76 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.704 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.2 mm-40 -72.63 -29.81 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.024 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -60.53 -41.64 94.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.657 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.89 -35.8 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 3.9 mm-40 -78.53 -33.62 47.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.801 HG22 ' NE ' ' A' ' 21' ' ' ARG . 1.9 t -54.94 -52.22 72.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.024 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -74.98 -34.13 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.476 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -70.0 -49.28 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.739 HD13 ' O ' ' A' ' 102' ' ' GLY . 4.6 tp -70.51 -59.83 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.596 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 92.1 m -44.88 -47.29 11.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -57.52 -46.19 84.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.419 ' HB3' HG13 ' A' ' 188' ' ' VAL . 0.7 OUTLIER -65.16 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.954 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.6 -37.36 86.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.03 90.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.0 OUTLIER -64.48 -43.82 92.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.051 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.95 -41.64 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 6.5 m -60.95 -52.97 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.49 -47.23 82.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.509 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.08 -41.52 90.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.7 tt -49.78 -49.05 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.474 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 9.6 mt -76.87 -24.35 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.28 -31.4 72.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.21 -71.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -161.86 176.84 38.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 185' ' ' GLN . 4.5 ptp -88.01 -20.27 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -45.65 -50.36 32.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.94 -39.61 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -38.07 89.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.97 -40.47 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.729 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -78.47 -20.56 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.1 ttt180 -96.68 -53.06 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.051 HG21 ' HB2' ' A' ' 172' ' ' ALA . 60.4 t -88.04 -58.05 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.569 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.4 t-80 -67.93 23.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -108.03 45.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 108.011 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.01 164.27 33.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -133.34 140.53 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.4 tt -105.89 149.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.976 ' HB ' HD22 ' A' ' 62' ' ' LEU . 10.9 t -135.66 142.73 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.4 119.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.47 107.55 3.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.531 1.145 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -87.04 103.66 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.53 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -140.21 5.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.572 1.17 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.633 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 1.1 m120 -136.35 126.43 16.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.2 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.644 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 66.35 134.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.936 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . 166.97 123.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -54.77 -26.86 37.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -92.63 -17.95 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.936 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . . . -72.13 -41.95 66.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' THR . 18.3 mmt85 -39.59 -46.1 1.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.538 HG21 ' O ' ' A' ' 151' ' ' LEU . 53.9 p -33.43 -38.7 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.619 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.2 ptp180 156.17 -9.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -53.93 -3.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.664 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 27' ' ' VAL . 51.9 t30 -122.69 36.46 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.006 HD13 HD13 ' A' ' 135' ' ' ILE . 5.2 mt -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.837 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -53.06 -50.75 50.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.7 t80 -84.23 -24.72 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 23' ' ' ASN . 7.9 t -72.92 -41.07 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.47 HG11 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -82.58 -38.85 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -66.94 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.9 t0 -75.22 -48.8 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.71 -50.93 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -57.04 -57.33 13.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -61.97 -21.06 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -78.48 -28.14 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' NH1' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -97.86 -44.77 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -21.46 61.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.84 -5.15 82.12 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -32.77 148.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -134.65 39.92 2.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.854 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.09 -152.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -174.93 -163.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -116.89 113.11 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 1.113 ' HE2' ' HB3' ' A' ' 48' ' ' ALA . 10.0 p-80 -67.05 144.69 56.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 -49.99 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -37.81 -70.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.479 ' CB ' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -70.18 -42.83 71.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 95.91 90.0 1.78 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.113 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . 162.11 -174.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.625 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.5 tp10 -114.65 148.84 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.854 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 8.8 p -158.5 162.5 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.73 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -143.84 125.95 15.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.33 125.6 30.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -126.04 94.38 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' SER . 5.5 mtp180 -114.36 114.7 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.537 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER 164.42 -165.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.973 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 47.57 33.53 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.04 47.06 91.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.9 OUTLIER 171.99 161.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.21 169.38 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.056 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.5 pp -164.96 121.48 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 53.0 t -104.55 103.37 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.976 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -89.55 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -103.8 166.97 10.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HZ1' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -178.64 109.77 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.651 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.04 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.3 mmt180 -80.25 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.676 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -50.96 -15.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.622 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 11.2 m-85 60.79 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' CYS . 3.8 ttt -42.77 -94.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.71 -34.66 73.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.676 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -57.08 -43.57 82.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.651 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 41.1 t -66.42 -49.75 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.643 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -46.17 -52.62 10.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.386 1.054 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.979 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.92 -46.08 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.697 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 3.4 mm-40 -50.11 -48.04 53.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.781 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.6 mm -68.03 -47.44 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.9 -66.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.979 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.02 -46.81 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.812 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.41 -39.63 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.791 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.58 -51.09 54.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -72.77 -16.97 61.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.661 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -74.68 -44.44 50.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -80.51 0.29 34.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.2 p 54.1 47.09 24.04 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 86' ' ' ALA . 38.4 t -122.74 151.03 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.224 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -83.79 166.21 35.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.553 ' HB2' ' CA ' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.06 -19.53 17.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.15 -10.19 6.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 56.7 m-20 -110.28 -25.47 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.536 HG12 HD22 ' A' ' 6' ' ' LEU . 9.7 mt -87.23 137.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.905 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -135.87 143.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.819 HG22 ' CG2' ' A' ' 8' ' ' VAL . 22.6 t -120.83 132.38 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.996 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -110.07 147.48 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.763 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -153.74 175.3 13.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.554 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.781 ' CB ' HD12 ' A' ' 24' ' ' LEU . 1.9 p-10 -100.1 141.01 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -152.03 165.66 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.872 HD22 HG21 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -101.31 132.03 47.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -127.33 -78.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.455 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 1.3 mp -131.17 -86.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.4 mp0 -89.06 167.53 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 7.5 m-85 -91.73 66.67 5.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.52 44.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -135.66 163.34 30.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.735 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -124.08 164.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.8 tpt180 -146.38 105.99 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.807 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.98 132.48 53.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -152.62 172.89 15.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.759 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -118.62 -85.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.502 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -56.89 -85.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 35.67 -146.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -132.48 127.34 4.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.533 ' N ' HH22 ' A' ' 132' ' ' ARG . 0.1 OUTLIER -69.85 -17.49 63.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.51 -163.39 18.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.69 68.16 3.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.2 OUTLIER -110.46 128.51 55.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 120' ' ' SER . 1.5 m-80 -72.27 -35.34 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.91 -61.19 4.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.17 -50.7 68.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.8 ttm-85 -58.6 -42.36 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.349 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.6 t -66.62 -30.3 70.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.643 HG22 ' HA2' ' A' ' 73' ' ' GLY . 18.4 t -67.34 -44.52 87.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 127' ' ' THR . 41.6 t -71.89 -29.46 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.09 -41.5 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.61 -47.31 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.791 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -78.97 -24.49 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 63.41 8.47 25.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.771 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -101.79 -152.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.484 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 19.7 tptt 179.72 78.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -168.94 24.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.209 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CA ' ' HB2' ' A' ' 87' ' ' PRO . 24.6 p90 -90.27 169.44 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 91' ' ' ILE . 56.3 mt-30 -109.51 159.18 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.533 HH22 ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -136.21 147.2 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.996 ' HB ' HG22 ' A' ' 93' ' ' ILE . 6.1 t -136.42 84.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.0 mpp_? -88.41 145.98 25.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.006 HD13 HD13 ' A' ' 24' ' ' LEU . 2.7 mp -95.82 150.04 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.47 97.51 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -110.94 100.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.597 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.115 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.71 92.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.18 -26.54 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.872 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -71.39 -36.07 59.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.829 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -100.62 46.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -55.71 -88.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.5 t30 151.35 47.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.78 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.26 27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.565 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -24.97 -51.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.608 1.192 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.659 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -75.09 -66.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.78 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.83 -43.08 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.41 -31.33 65.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.005 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.93 -45.48 90.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.735 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -74.55 -36.24 63.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.994 ' O ' HG22 ' A' ' 165' ' ' ILE . 0.4 OUTLIER -75.19 -38.59 60.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.681 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -49.65 -50.95 63.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.005 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.95 -29.01 8.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -64.95 -59.37 4.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.071 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.994 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.56 -53.78 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.677 ' O ' ' N ' ' A' ' 170' ' ' ALA . 35.2 t -47.24 -47.54 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.368 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -57.83 -47.25 83.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.453 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 4.4 tm0? -65.84 -44.99 83.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.716 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.49 -37.56 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.196 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.31 -47.06 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.14 -43.36 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.663 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -60.96 -41.58 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.8 m -63.51 -53.12 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 177' ' ' ILE . 1.9 pt-20 -57.73 -42.52 84.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.56 ' CD2' ' HB2' ' A' ' 183' ' ' PRO . 1.2 tp -70.39 -41.27 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.727 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.5 tt -49.24 -47.32 46.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.51 HG22 ' O ' ' A' ' 174' ' ' GLU . 1.4 tt -71.45 -38.56 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.28 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -101.92 -76.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -167.38 -167.18 27.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -86.84 -14.64 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -50.12 -50.37 69.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 175' ' ' LEU . 18.5 Cg_endo -74.99 -38.04 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.805 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.2 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.615 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -67.47 -35.55 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.06 -22.89 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.02 -58.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.242 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -62.47 -47.08 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.615 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.03 16.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.561 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -140.1 85.77 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.516 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.2 Cg_endo -75.03 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.952 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -130.75 166.99 19.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.18 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -124.17 139.83 53.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.938 HG13 ' CG1' ' A' ' 91' ' ' ILE . 4.4 t -124.86 142.29 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.836 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.23 120.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' NZ ' ' A' ' 64' ' ' LYS . . . -100.92 110.32 3.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.941 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -93.93 108.73 20.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 23' ' ' ASN . . . -127.14 -140.18 5.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.9 128.69 18.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.3 Cg_endo -75.0 -24.62 12.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.54 -147.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -158.68 -68.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.381 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -46.02 -38.88 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.41 -20.2 20.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.43 -37.57 68.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -44.85 -25.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 18.4 p -76.79 24.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.846 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 1.4 mtt180 67.97 10.87 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.475 ' CE1' HD21 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -65.68 7.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.688 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.9 t30 -128.61 40.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.598 1.186 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.886 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -61.76 -45.7 92.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.53 -47.63 68.93 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.664 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 11.2 t80 -81.55 -25.02 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.736 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 23' ' ' ASN . 10.7 t -76.72 -38.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.696 HG23 HD12 ' A' ' 24' ' ' LEU . 2.6 t -76.73 -47.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.841 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -61.42 -44.72 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.61 1.194 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.2 t70 -66.12 -39.74 90.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.19 -58.27 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.73 -52.4 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -60.9 -20.76 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.26 -28.29 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -83.63 -41.88 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.95 16.02 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 43.53 27.68 0.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -45.9 173.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.03 58.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.754 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -79.61 -158.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.585 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.62 -163.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -144.33 150.92 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' ALA . 66.2 t60 -130.57 156.17 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' ARG . 2.3 pttp -62.87 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 36.89 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.361 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.509 ' CB ' HD21 ' A' ' 79' ' ' LEU . 33.0 m -66.48 57.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -125.65 -55.65 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.909 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.1 -169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 9.5 tp10 -76.41 149.3 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.754 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 11.0 p -173.06 158.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.612 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -143.63 126.77 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.72 127.21 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -117.56 118.45 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -141.55 91.35 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -170.05 -162.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 46.33 25.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.14 42.06 96.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 177.97 152.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.623 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -81.08 -177.12 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.057 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 174.11 114.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.92 106.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.841 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -92.38 108.27 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.542 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -113.56 170.11 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.628 ' HZ3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 177.71 118.84 0.18 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.909 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.94 -152.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.502 ' C ' ' N ' ' A' ' 68' ' ' TYR . 3.0 mmt-85 -90.06 -85.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -45.51 -22.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.86 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.5 m-85 61.85 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.664 ' HA ' HD13 ' A' ' 10' ' ' LEU . 53.8 ttm -27.67 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -70.79 -32.84 70.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.77 -32.71 72.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.6 t -78.83 -55.24 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.72 -50.93 8.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.13 -47.32 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.75 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -43.32 -51.37 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.852 HG23 HD21 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -67.78 -44.96 85.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.21 -70.42 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.994 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.96 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.46 -39.63 64.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.8 -50.48 56.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -16.98 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.645 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -75.74 -44.41 41.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -85.31 -12.1 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.05 51.69 11.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.793 ' CG1' HD11 ' A' ' 90' ' ' ILE . 9.8 p -95.28 168.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.466 ' H ' HG22 ' A' ' 85' ' ' VAL . . . -90.69 156.83 44.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.631 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.2 14.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.952 ' O ' HD12 ' A' ' 5' ' ' LEU . 28.3 m-20 -116.1 -23.67 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.793 HD11 ' CG1' ' A' ' 85' ' ' VAL . 84.6 mt -86.57 122.97 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.938 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -128.03 116.9 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.836 HG22 ' CG2' ' A' ' 8' ' ' VAL . 50.8 t -105.48 121.91 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.641 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.68 146.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.941 ' CE1' HD11 ' A' ' 10' ' ' LEU . 1.8 t60 -157.19 164.62 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.88 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -96.17 144.42 26.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.514 ' OD1' HD23 ' A' ' 97' ' ' LEU . 4.3 t0 -151.76 179.35 8.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.796 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.3 pt? -107.14 105.18 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.871 ' HB3' HD12 ' A' ' 99' ' ' LEU . 3.2 t0 -124.17 -68.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.871 HD12 ' HB3' ' A' ' 98' ' ' ASP . 4.5 mp -119.58 -125.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.583 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -80.3 -175.1 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -91.78 64.66 4.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.525 ' CA ' HG21 ' A' ' 165' ' ' ILE . . . 167.08 45.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.571 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.31 125.63 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.595 HG22 HG12 ' A' ' 135' ' ' ILE . 1.3 pp -98.32 153.91 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 134' ' ' ARG . 3.2 mmt180 -143.97 116.6 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.859 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.11 129.33 51.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -135.84 179.25 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.784 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.4 OUTLIER -119.24 -89.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -125.39 48.0 0.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.97 -68.48 1.6 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.53 100.81 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -41.09 135.35 1.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.68 54.54 3.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 38.05 45.01 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.91 138.67 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.39 -43.9 75.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.32 -48.59 84.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.41 ' CB ' ' HB2' ' A' ' 112' ' ' GLU . 14.7 mt -64.66 -48.27 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.477 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -59.67 -36.0 75.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.0 t -74.53 -29.31 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 125' ' ' LEU . 2.2 t -71.87 -43.86 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.592 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.96 -41.14 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.01 -35.13 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -77.47 -51.51 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 76' ' ' ILE . 22.5 mt -78.54 -21.13 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.592 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 77.59 0.6 73.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.448 ' C ' ' HG2' ' A' ' 128' ' ' LYS . 0.4 OUTLIER 77.02 120.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.666 ' HB2' ' CZ ' ' A' ' 130' ' ' PHE . 53.6 mmtt -146.67 15.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.784 ' O ' HD11 ' A' ' 108' ' ' ILE . 9.0 t0 87.66 20.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.747 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 75.2 m-85 -55.4 153.79 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.606 ' HG3' HD13 ' A' ' 108' ' ' ILE . 46.3 mt-30 -93.75 155.46 17.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -144.45 149.58 36.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 6.2 t -128.5 89.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 105' ' ' ARG . 9.1 mtp180 -88.75 145.46 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.92 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.3 mp -105.61 142.56 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.03 107.35 3.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.88 HG21 ' OD2' ' A' ' 95' ' ' ASP . 2.3 pt -100.92 154.06 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.628 ' C ' ' O ' ' A' ' 137' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.32 93.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 138' ' ' GLY . 9.7 t80 -78.16 -27.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -67.85 -32.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 22' ' ' HIS . 60.3 mt -105.02 44.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.709 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -63.21 -101.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.4 t30 136.25 46.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.757 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.7 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.604 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -20.62 -51.95 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.734 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.04 -75.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.576 1.83 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.757 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.68 -38.12 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.703 ' HG2' HG23 ' A' ' 162' ' ' VAL . 1.0 OUTLIER -75.06 -32.76 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.3 -43.71 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.7 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.51 -34.57 54.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.638 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 5.5 tp10 -74.34 -37.36 63.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.703 HG23 ' HG2' ' A' ' 158' ' ' GLU . 0.9 OUTLIER -54.04 -52.6 66.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.638 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -62.78 -54.65 35.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 110.377 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.599 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -77.22 -53.37 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.721 ' O ' ' HB2' ' A' ' 170' ' ' ALA . 57.8 m -42.0 -44.84 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -69.78 -47.08 64.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -63.96 -45.86 87.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -71.31 -35.18 71.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.89 -48.97 74.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 29.3 m-20 -68.28 -40.53 81.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.911 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.2 m -64.56 -51.44 62.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.9 pt-20 -56.66 -42.99 79.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 183' ' ' PRO . 1.4 tp -69.36 -38.0 77.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.749 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.6 tt -52.97 -47.88 67.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.5 mt -81.41 -20.93 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.456 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -57.91 -60.88 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.59 -71.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -152.48 -177.18 25.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -11.58 35.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -51.43 -47.51 88.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -37.56 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.792 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -44.46 87.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.0 tt0 -68.03 -36.62 80.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.836 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 13.5 t30 -82.2 -21.96 36.18 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -102.1 -57.6 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.911 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.66 -51.49 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -73.32 8.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.836 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.24 94.43 2.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.24 18.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -131.87 137.84 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.658 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.14 138.16 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.796 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -126.4 140.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.718 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.07 122.35 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.324 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.99 107.6 3.26 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.947 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -94.2 93.4 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 0.703 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -119.2 -149.61 8.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 2.9 m120 -134.29 128.99 19.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.75 -166.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -143.82 -172.41 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.368 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.599 ' CE2' ' HG ' ' A' ' 151' ' ' LEU . 1.9 t80 -67.6 -22.57 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -43.6 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 20' ' ' THR . 4.4 tpt180 -44.73 -49.75 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.673 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 72.5 p -26.34 -44.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 110.396 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.55 -15.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 1.1 t-160 -53.29 -5.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.657 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.9 t-20 -103.64 18.47 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -53.62 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.61 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -31.16 -63.87 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.95 -36.83 85.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 111.052 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.5 t -58.85 -44.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.771 HG21 HD13 ' A' ' 93' ' ' ILE . 81.8 t -64.63 -48.97 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB1' ' HE3' ' A' ' 64' ' ' LYS . . . -55.99 -46.37 78.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -45.82 73.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.688 HD13 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.5 -62.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 5.9 mt -55.76 -33.02 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.858 ' HA ' HD22 ' A' ' 36' ' ' LEU . . . -71.34 -26.29 62.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.19 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -92.65 -43.44 9.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.093 HD21 ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -72.27 -34.7 68.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.64 ' N ' HD23 ' A' ' 36' ' ' LEU . . . 91.26 -41.15 2.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 1.093 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -26.25 137.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -95.81 74.07 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.869 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 18.8 m-85 -32.13 148.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -115.94 -175.41 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.77 139.85 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -138.48 151.84 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.54 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.6 mmmt -65.56 -171.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.6 ttt85 34.52 -144.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . 1.046 ' O ' HD21 ' A' ' 79' ' ' LEU . 72.7 p -68.4 55.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -121.44 -58.1 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.868 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.73 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 0.741 . . . . 0.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.59 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.2 tp10 -86.98 148.15 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -173.83 163.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.869 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -165.55 147.07 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.065 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.11 127.41 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.579 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -122.14 109.65 1.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -109.76 115.84 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 0.728 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.89 -157.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.27 32.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 57.37 51.69 56.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HB2' HG21 ' A' ' 177' ' ' ILE . 0.1 OUTLIER 165.49 155.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.06 164.15 23.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -158.01 127.06 5.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.446 HG11 HD11 ' A' ' 6' ' ' LEU . 23.6 t -103.79 110.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.837 HD12 ' CE1' ' A' ' 40' ' ' PHE . 1.7 tm? -101.26 125.46 47.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.506 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -140.08 165.56 27.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.667 ' HE3' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.23 117.15 0.26 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.868 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.91 -157.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.478 ' C ' ' N ' ' A' ' 68' ' ' TYR . 82.1 mmt-85 -80.81 -83.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.659 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -49.98 -17.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.644 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.6 m-85 61.74 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.947 ' HA ' HD13 ' A' ' 10' ' ' LEU . 30.7 ttm -39.27 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.675 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 7.6 p-10 -62.4 -41.85 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.659 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 2.7 tp10 -50.93 -44.63 60.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.063 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.644 ' N ' ' O ' ' A' ' 68' ' ' TYR . 46.8 t -66.0 -45.71 80.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.053 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.848 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -46.52 -52.55 10.83 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.18 -50.31 11.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.611 ' OE1' ' HB2' ' A' ' 48' ' ' ALA . 7.1 mm-40 -46.39 -48.14 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.732 ' O ' ' N ' ' A' ' 80' ' ' ALA . 51.8 mt -68.89 -48.1 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.59 -66.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.9 -45.61 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.046 HD21 ' O ' ' A' ' 46' ' ' SER . 22.5 mt -54.36 -41.72 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.74 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.28 -45.21 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -77.69 -16.72 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.6 t80 -76.55 -39.59 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -79.35 -2.37 41.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t 48.98 45.5 22.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 89' ' ' ASN . 0.5 OUTLIER -120.79 163.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.36 154.25 59.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HG3' HG21 ' A' ' 127' ' ' THR . 18.5 Cg_endo -74.96 -10.08 21.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -11.94 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.692 HD21 HG22 ' A' ' 85' ' ' VAL . 15.6 p30 -108.77 -15.27 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -85.56 128.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.796 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -137.71 118.42 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 7.7 p -102.57 128.02 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.886 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -101.2 148.76 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.931 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.7 t60 -155.19 -179.98 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.527 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -105.01 139.58 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.611 ' O ' HD13 ' A' ' 137' ' ' ILE . 4.4 t0 -148.23 155.78 41.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.67 115.09 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.89 -69.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.506 HD23 ' HG3' ' A' ' 100' ' ' GLU . 8.3 tp -131.5 -105.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HG3' HD23 ' A' ' 99' ' ' LEU . 14.2 mt-10 -88.23 179.12 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.662 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.26 75.11 5.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.59 40.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.72 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -132.39 157.33 44.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.027 HG21 ' HB2' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -114.31 163.22 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 13.0 tpt180 -151.05 100.59 2.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.853 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -101.67 129.61 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -147.56 165.37 30.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.746 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.4 tp -119.2 -86.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.746 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -58.06 -48.46 82.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.607 1.192 . . . . 0.0 111.063 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.447 ' HA3' ' NH2' ' A' ' 132' ' ' ARG . . . 40.06 -99.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -166.05 -56.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 2.3 tm-20 90.32 21.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 0.829 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.14 146.4 25.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.36 54.84 18.53 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.448 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -148.98 107.49 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.671 179.917 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 120' ' ' SER . 9.2 m-80 -66.45 -54.07 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 1.025 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -53.35 -60.98 7.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.542 HD13 ' CD ' ' A' ' 132' ' ' ARG . 9.6 mt -51.12 -43.73 61.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.512 ' O ' HG12 ' A' ' 122' ' ' VAL . 7.3 ttt180 -65.93 -33.9 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' ASN . 0.5 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 117' ' ' GLY . 4.0 t -72.87 -41.72 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.46 -43.45 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.38 77.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.182 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -70.27 -44.03 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.862 HD12 HG12 ' A' ' 121' ' ' VAL . 34.5 mt -76.56 -24.61 53.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 67.95 4.04 32.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.462 1.102 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.674 HG21 ' HG3' ' A' ' 87' ' ' PRO . 14.6 t -123.75 -176.54 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.462 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -154.67 48.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.5 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -116.05 -2.37 12.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.543 ' HB2' HG23 ' A' ' 90' ' ' ILE . 4.4 p90 -77.96 170.89 15.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.432 ' CA ' HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -126.04 168.91 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.542 ' CD ' HD13 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -141.05 150.28 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.886 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.7 t -122.99 87.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 7.0 mtp180 -86.01 146.92 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.931 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.4 mp -103.53 148.16 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 96' ' ' ASP . . . -93.57 98.85 2.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.662 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -106.99 101.6 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.78 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.02 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.308 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -20.79 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.651 HG12 HD22 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -83.31 -31.45 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.344 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.651 HD22 HG12 ' A' ' 150' ' ' VAL . 1.6 mm? -92.64 42.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 20.5 mt-10 -70.81 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.582 ' C ' ' H ' ' A' ' 155' ' ' THR . 15.2 t30 150.91 47.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.791 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -71.02 30.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 110.985 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -20.54 -53.07 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.711 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.791 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.31 -39.05 13.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.666 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.0 OUTLIER -74.0 -32.75 63.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.0 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.41 -42.41 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.71 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.42 -35.55 54.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.993 ' O ' HG22 ' A' ' 165' ' ' ILE . 17.2 mm-40 -76.75 -36.58 57.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.666 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -52.63 -50.76 78.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.0 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.555 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -59.8 -54.13 49.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.993 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -74.62 -53.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.773 ' N ' HD13 ' A' ' 165' ' ' ILE . 51.3 m -43.8 -49.12 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -63.35 -47.19 83.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.584 ' HG3' ' CH2' ' A' ' 191' ' ' TRP . 0.7 OUTLIER -62.01 -42.03 98.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 1.027 ' HB2' HG21 ' A' ' 104' ' ' ILE . . . -65.64 -43.74 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.06 71.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -67.07 -44.15 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.055 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -56.88 -44.18 82.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 24.5 m -63.55 -52.58 60.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.57 -45.3 89.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.478 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.96 -38.42 86.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.705 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.1 tt -54.15 -50.23 67.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.513 HG21 ' HB2' ' A' ' 58' ' ' ARG . 32.6 mt -74.23 -25.0 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -43.32 99.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.0 -70.61 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -155.39 178.99 31.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.7 ptt? -91.25 -17.85 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -49.99 -45.87 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.08 -37.94 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.397 1.735 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.648 ' HA ' ' HB2' ' A' ' 189' ' ' HIS . 2.2 tt0 -70.3 -40.53 74.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.998 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 22.6 t-20 -82.74 -23.43 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.529 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -90.26 -54.33 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.055 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.2 t -81.52 -52.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.88 16.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.565 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.998 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -68.29 -37.19 80.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.383 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.584 ' CH2' ' HG3' ' A' ' 168' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 108.029 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.03 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -135.48 141.84 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.638 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -115.38 142.43 46.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.884 ' HB ' HD22 ' A' ' 62' ' ' LEU . 42.6 t -127.31 147.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 1.033 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.91 127.13 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 25' ' ' GLY . . . -97.22 114.13 4.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.792 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.87 96.43 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.727 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.91 -162.24 20.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.423 ' HB2' ' HB3' ' A' ' 22' ' ' HIS . 4.4 m120 -130.6 113.17 16.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.5 Cg_endo -74.94 2.99 5.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -44.73 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -179.05 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -45.82 -34.4 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 2.0 t80 -69.25 -36.93 77.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.6 -38.64 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt180 -43.5 -46.24 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.602 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 59.1 p -32.1 -36.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.765 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 150.33 -9.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -61.22 3.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.628 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.717 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.6 t30 -113.58 31.69 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.394 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 21' ' ' ARG . 1.4 mm? -66.93 -60.95 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . -36.84 -42.45 0.72 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.685 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 14.3 t80 -84.17 -40.23 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.4 t -64.79 -41.21 91.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.634 ' CG2' HD12 ' A' ' 24' ' ' LEU . 42.7 t -76.03 -48.16 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 25' ' ' GLY . . . -53.82 -43.91 69.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 17.0 t70 -69.1 -46.47 67.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.532 HD12 ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -51.9 -53.01 45.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.3 mt -55.41 -63.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -13.92 16.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.13 -18.59 21.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -102.85 -41.13 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -19.84 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.09 -6.87 78.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' THR . . . -39.28 142.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.74 58.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.623 ' CE2' ' CG2' ' A' ' 50' ' ' VAL . 2.4 t80 -78.23 -106.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -164.7 -167.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.647 ' HB2' ' CD ' ' A' ' 49' ' ' GLU . . . -148.85 159.94 43.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.372 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 45.4 t-80 70.07 -95.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 50.47 -179.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -49.68 -41.05 42.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 p -47.33 -52.71 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.954 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.19 49.2 1.92 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.573 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 176.32 171.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.647 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 2.4 tp10 -78.98 148.26 32.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.244 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.675 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -152.48 134.91 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -145.16 106.98 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.726 HG22 HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -72.9 151.09 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.455 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.462 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -143.92 120.81 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -109.52 111.62 23.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 58' ' ' ARG . 3.2 t -177.47 -161.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 40.19 31.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 57.76 47.02 91.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER 172.84 152.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -81.14 164.35 22.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.783 HD12 HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -155.09 120.93 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.726 HG22 HG22 ' A' ' 52' ' ' THR . 44.8 t -101.13 108.09 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.884 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -93.98 109.88 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.675 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -122.92 165.8 16.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' NZ ' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.81 117.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -156.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.48 ' C ' ' N ' ' A' ' 68' ' ' TYR . 27.8 mmt180 -83.64 -86.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.575 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.34 -18.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 108.343 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.685 ' OH ' ' CD1' ' A' ' 26' ' ' PHE . 17.0 m-85 62.19 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.741 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -39.96 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.504 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 52.8 t-20 -63.15 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.413 1.071 . . . . 0.0 109.203 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 0.4 OUTLIER -58.21 -47.77 82.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.1 t -65.55 -47.34 76.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.58 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -46.52 -52.22 11.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 1.09 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -81.85 -35.81 28.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.638 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 3.1 mm-40 -62.03 -46.19 90.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.033 HD11 HG11 ' A' ' 8' ' ' VAL . 1.5 mp -71.06 -50.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.87 -63.36 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 1.09 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.99 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.85 -40.85 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.24 -47.4 70.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -16.26 59.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.6 t80 -75.88 -44.24 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.631 ' HB3' HG23 ' A' ' 85' ' ' VAL . 12.9 m-85 -81.69 -10.16 59.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.7 t 55.12 49.96 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' HB3' ' A' ' 83' ' ' TYR . 23.2 t -101.12 172.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.556 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -82.44 153.83 68.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.94 -32.72 5.25 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.69 2.9 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' LEU . 84.5 m-20 -104.46 -21.71 13.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 11.6 mt -87.48 133.68 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.726 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -137.62 119.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.904 HG22 ' CG2' ' A' ' 8' ' ' VAL . 48.2 t -104.53 130.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.224 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -108.89 147.49 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.967 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.3 t60 -152.9 171.85 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.453 ' CG ' HG12 ' A' ' 137' ' ' ILE . 18.7 t70 -108.54 143.62 37.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.73 153.4 22.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' HA ' ' C ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -85.69 115.37 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.256 -179.898 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -108.31 -79.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -134.43 -71.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -89.02 163.05 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -96.23 39.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.483 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -170.4 46.1 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.689 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -134.13 171.58 14.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.118 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -124.48 165.61 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.82 95.68 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 1.024 HD12 ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -101.3 147.8 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 1.024 ' N ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -155.77 163.21 40.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -97.33 -54.68 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -153.77 67.67 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.88 -69.54 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 113' ' ' GLY . . . 165.29 96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.462 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 0.4 OUTLIER -41.24 -27.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 111' ' ' GLY . . . 43.21 -108.09 0.15 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.584 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -93.12 81.47 1.07 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 41.4 m80 -160.89 101.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.462 ' CB ' ' HE3' ' A' ' 69' ' ' MET . 6.8 m-20 -63.12 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.412 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -58.53 -65.74 3.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' A' ' 115' ' ' HIS . 9.1 mt -51.78 -45.4 63.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER -60.69 -35.75 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 -31.41 69.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -69.35 -44.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 126' ' ' GLY . 33.7 t -71.42 -26.66 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.81 64.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -84.04 -45.09 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.89 HD13 ' CE1' ' A' ' 130' ' ' PHE . 22.9 mt -78.56 -21.89 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.613 ' O ' HG22 ' A' ' 127' ' ' THR . . . 74.08 8.39 78.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 83.85 164.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.34 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.674 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 14.5 mmtt 155.83 -3.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.674 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 10.5 t0 138.69 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.89 ' CE1' HD13 ' A' ' 125' ' ' LEU . 31.0 m-85 58.39 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -111.74 158.46 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.29 147.7 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.901 HG22 ' HB2' ' A' ' 106' ' ' LEU . 11.1 t -134.41 81.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.7 146.62 26.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.967 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.5 mp -95.77 146.17 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.1 101.91 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.6 pp -118.72 79.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.0 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -72.9 -28.39 62.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.596 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -67.46 -41.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.477 ' HG ' HG12 ' A' ' 150' ' ' VAL . 84.2 mt -89.53 49.24 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -79.38 -112.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.589 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.9 t30 159.64 47.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.815 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -70.05 27.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.41 -52.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.702 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.91 -71.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.815 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.26 -42.71 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.7 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.7 mt-10 -74.3 -28.92 61.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.997 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.72 -45.32 89.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.938 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.737 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.89 -34.27 51.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 1.018 ' O ' HG22 ' A' ' 165' ' ' ILE . 11.6 tp10 -76.12 -37.18 58.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.7 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.5 -50.38 83.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.997 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -28.86 8.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.414 1.744 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -63.47 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.118 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.83 -54.02 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.675 ' N ' HD13 ' A' ' 165' ' ' ILE . 56.6 m -45.91 -46.33 15.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.3 tt0 -59.58 -44.71 93.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.437 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 32.3 tp60 -67.91 -40.25 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.902 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -71.87 -41.92 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.03 -43.03 81.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -67.14 -42.84 83.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.698 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -58.75 -40.84 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.2 m -63.69 -53.73 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.453 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 5.3 pt-20 -62.73 -39.28 93.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -44.15 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.748 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.2 tt -52.89 -43.94 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.6 mt -79.39 -23.61 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -62.01 -43.62 98.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -143.5 -72.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.239 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -155.25 177.88 32.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 17.8 ttt -89.58 -10.73 44.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.0 mp0 -49.25 -47.42 76.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.99 -38.14 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.715 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -40.68 93.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.646 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.7 tt0 -70.21 -37.64 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 1.002 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 54.5 t30 -82.87 -21.54 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.82 -56.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.715 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -72.21 -54.75 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -67.11 0.26 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 1.002 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.87 94.65 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.676 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.465 ' O ' ' NE ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -131.75 137.83 48.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -118.2 138.94 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.745 HG13 ' CG1' ' A' ' 91' ' ' ILE . 19.6 t -129.83 144.42 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.36 120.28 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.64 107.22 3.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.04 106.01 18.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.52 -143.73 5.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . 3.7 m120 -135.07 128.97 18.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -173.77 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.386 1.73 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.624 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -34.1 115.54 0.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 167.71 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.43 -11.99 19.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 1.11 ' CE1' HD11 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -70.24 -18.18 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.33 -30.85 65.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 21' ' ' ARG . 20.1 mmt180 -37.99 -41.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.827 HG21 HD12 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -75.9 38.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.718 ' HD2' HG21 ' A' ' 162' ' ' VAL . 5.8 mmp_? 54.09 22.37 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -65.91 8.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.649 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.68 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 t-20 -131.55 44.72 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.573 HD12 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -63.42 -51.28 66.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.754 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -48.91 -44.61 31.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 7.4 t80 -84.06 -29.27 26.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 0.806 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.8 t -71.69 -36.49 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG22 HD12 ' A' ' 32' ' ' LEU . 7.8 p -80.53 -51.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.834 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.94 -33.99 67.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 23.2 t70 -72.85 -53.41 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.1 OUTLIER -53.43 -51.78 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.683 HD21 ' HB1' ' A' ' 170' ' ' ALA . 1.6 mt -55.14 -57.74 10.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.555 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -60.86 -18.03 53.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -83.0 -27.28 30.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -98.95 -42.81 6.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.43 -21.71 63.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.24 -7.4 81.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.555 ' HB3' ' CB ' ' A' ' 33' ' ' ALA . . . -32.92 147.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 0.791 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.86 76.46 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.705 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.55 -166.74 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -156.83 -163.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.926 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -112.27 141.74 45.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.063 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' HB2' ' CG2' ' A' ' 50' ' ' VAL . 14.9 t60 -110.22 110.19 20.94 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -51.13 27.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -40.36 -54.23 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.895 ' HB2' HD11 ' A' ' 79' ' ' LEU . 95.6 p -83.03 -46.4 12.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.552 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 98.02 66.03 0.89 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 172.61 173.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.8 mm-40 -84.72 147.85 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.597 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -144.0 124.76 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.705 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -115.29 111.17 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.44 124.66 32.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.43 131.6 5.59 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -141.18 98.09 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 110.243 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -164.43 -158.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.77 42.45 98.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HB2' ' CG2' ' A' ' 177' ' ' ILE . 1.6 mmt-85 178.93 155.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.03 177.95 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.3 pp -175.16 107.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 4.1 t -107.69 101.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.834 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -96.57 111.22 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.643 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -122.26 168.99 11.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.632 ' HZ1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -178.34 118.62 0.24 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.635 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -158.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.582 1.833 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 40.7 mmt-85 -84.26 -83.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.59 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.39 -19.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 9.3 m-85 61.01 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.739 ' HA ' HD13 ' A' ' 10' ' ' LEU . 34.4 ttp -33.28 -90.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 69' ' ' MET . 1.8 t-20 -69.6 -33.4 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.59 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.3 OUTLIER -58.8 -32.87 69.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.214 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -80.14 -51.68 8.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -47.87 -49.45 22.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.407 1.067 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.98 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.8 -44.08 42.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.793 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.587 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 2.5 tm0? -47.9 -50.08 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 7.4 mt -68.0 -45.31 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -67.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.98 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.11 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.895 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.46 -40.16 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.76 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.24 -49.64 59.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -16.5 61.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.701 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -76.96 -43.59 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -88.68 -13.46 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.7 t 53.57 48.73 21.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.912 HG22 ' ND2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -95.59 162.47 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -82.05 150.11 64.24 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.01 -4.53 15.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.53 -1.47 53.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.912 ' ND2' HG22 ' A' ' 85' ' ' VAL . 27.4 p30 -116.65 -16.89 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -86.74 124.85 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.745 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 114.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.9 p -102.87 123.77 56.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.763 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.4 OUTLIER -106.48 141.14 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.669 ' O ' HD12 ' A' ' 135' ' ' ILE . 5.4 t60 -161.16 168.79 23.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.554 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.585 ' O ' ' CE1' ' A' ' 115' ' ' HIS . 1.0 OUTLIER -101.99 143.57 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 115' ' ' HIS . 8.8 t0 -137.55 152.82 49.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 150' ' ' VAL . 3.3 mp -83.97 85.03 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -132.54 -43.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.656 ' C ' ' H ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -135.76 90.39 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.829 ' N ' ' H ' ' A' ' 138' ' ' GLY . 16.8 tt0 -67.01 33.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.656 ' H ' ' C ' ' A' ' 99' ' ' LEU . 5.5 m-85 -104.11 -54.94 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.2 50.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 135' ' ' ILE . 1.3 tmm_? -115.07 161.1 18.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.743 . . . . 0.0 110.298 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.026 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.0 OUTLIER -109.01 149.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.7 ttp85 -138.88 104.93 5.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.994 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -103.23 141.14 36.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.643 ' N ' HD12 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -166.82 -168.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.991 HD11 ' O ' ' A' ' 129' ' ' ASP . 1.1 tp -115.69 -131.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.68 ' N ' HG23 ' A' ' 108' ' ' ILE . . . -95.45 63.99 1.35 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.74 25.02 1.8 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.49 -92.85 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 43.94 58.67 3.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 0.777 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.06 -95.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.89 64.89 0.59 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' ASP . 20.0 m170 -114.79 119.0 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -28.16 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.457 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -67.93 -57.37 8.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 122' ' ' VAL . 14.4 mt -56.44 -48.65 76.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -36.63 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -70.91 -30.34 66.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.893 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -68.42 -44.99 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.541 HG13 ' CB ' ' A' ' 127' ' ' THR . 12.2 t -72.94 -27.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.84 -42.57 12.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 121' ' ' VAL . 46.6 mt -79.34 -23.4 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.49 5.72 78.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.541 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 82.74 117.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.796 . . . . 0.0 110.418 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.66 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 15.0 tptt -137.36 6.08 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.991 ' O ' HD11 ' A' ' 108' ' ' ILE . 14.0 t0 89.74 19.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.227 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.726 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 67.1 m-85 -54.1 155.39 3.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.508 ' CG ' HD12 ' A' ' 108' ' ' ILE . 35.4 mt-30 -96.57 155.34 16.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.442 ' NH2' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -144.21 146.11 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.994 HG22 ' HB2' ' A' ' 106' ' ' LEU . 3.4 t -123.58 86.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -88.09 143.28 27.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.767 HG13 HG22 ' A' ' 104' ' ' ILE . 3.6 mp -104.18 150.62 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . -93.57 115.25 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.0 pp -154.62 77.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 0.824 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.829 ' H ' ' N ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.02 90.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.443 ' O ' ' CD ' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -75.83 -29.99 58.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.967 ' HA ' HD21 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -64.82 -36.18 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.336 179.902 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 1.11 HD11 ' CE1' ' A' ' 17' ' ' TYR . 2.6 mp -101.91 41.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 151' ' ' LEU . 2.0 mp0 -29.12 -51.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 155' ' ' THR . 23.7 t30 67.57 30.55 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.73 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.7 OUTLIER -72.44 21.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.3 -52.51 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.73 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.06 -72.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 161' ' ' GLU . . . -46.36 -41.41 13.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.758 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.6 OUTLIER -75.53 -28.69 59.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -56.9 -45.41 82.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.719 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -80.19 -33.23 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.626 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.0 mm-40 -77.23 -34.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.758 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -57.11 -50.5 87.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -28.0 9.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.8 OUTLIER -58.31 -56.55 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.35 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.921 ' CG1' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -77.11 -47.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.597 ' N ' HD13 ' A' ' 165' ' ' ILE . 30.3 m -46.4 -44.88 17.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.574 1.171 . . . . 0.0 108.367 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.2 tt0 -69.54 -44.52 70.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.12 -46.85 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 1.026 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.93 -41.65 86.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.683 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -55.95 -42.09 75.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.2 t0 -66.33 -41.88 88.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.775 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -57.72 -40.54 79.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.6 m -63.88 -54.24 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.394 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.617 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -61.04 -34.28 74.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.617 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -73.28 -46.02 52.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.9 tt -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.371 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.498 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 15.9 mt -82.23 -26.3 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 3.8 tm-20 -58.3 -45.0 88.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -147.8 -71.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -150.73 177.92 28.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -92.82 -5.7 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -52.34 -45.53 94.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.97 -37.24 2.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.58 -38.97 88.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.626 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.0 tt0 -70.78 -37.8 73.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 1.014 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 50.3 t30 -83.63 -21.33 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.12 -57.0 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.775 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 0.5 OUTLIER -70.05 -58.13 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.626 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -61.84 -10.6 9.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.642 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 1.014 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -129.11 90.47 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.447 ' CH2' HG23 ' A' ' 164' ' ' THR . 3.0 m95 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.044 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.456 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.99 148.5 35.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.592 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.57 136.21 51.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.662 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -103.81 143.91 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 62' ' ' LEU . 21.2 t -120.93 142.18 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -137.41 117.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.01 111.51 3.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.805 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.15 95.07 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 68' ' ' TYR . . . -113.02 -147.88 10.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' HIS . 2.8 m120 -136.92 118.73 11.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.0 130.51 13.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.801 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 46.25 -170.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.415 1.072 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 82.34 139.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.06 -8.03 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.929 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -87.39 -16.76 34.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -74.28 -37.66 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -60.52 -52.64 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 17' ' ' TYR . 13.7 t -30.32 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.692 ' NH1' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER 145.36 -3.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.7 t-160 -65.43 8.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 21' ' ' ARG . 20.7 t-20 -118.39 21.78 12.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.967 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -49.74 -45.54 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.65 -60.66 4.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 21.2 t80 -77.55 -24.3 49.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 0.789 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG23 ' OD1' ' A' ' 23' ' ' ASN . 2.0 t -69.07 -42.03 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.661 ' HB ' HD11 ' A' ' 93' ' ' ILE . 3.0 t -74.6 -51.02 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.579 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -56.99 -34.51 68.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ALA . 5.5 m-20 -67.82 -53.06 29.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.69 -56.12 13.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -60.15 -32.4 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.721 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -75.25 -24.51 57.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.34 -27.57 34.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -42.94 14.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 1.1 mp -72.24 -43.66 64.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.07 -8.42 79.85 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.16 146.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.33 82.1 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.886 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 59.6 m-85 -61.45 -178.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -154.12 -167.96 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.79 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -174.01 140.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.504 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -133.18 -175.43 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.567 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 -175.77 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER 48.89 -105.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 45' ' ' ARG . 74.4 m -106.79 45.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -114.12 -65.28 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 50.19 -177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.79 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 2.7 tp10 -81.37 148.31 29.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.6 p 177.85 166.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.886 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -169.65 146.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.79 127.44 32.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -121.46 108.02 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.11 122.99 48.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 172.12 -163.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.07 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.39 42.05 99.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 178.63 153.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 1.7 m -80.59 164.45 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -161.56 117.88 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 6' ' ' LEU . 79.2 t -100.33 103.83 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.9 tm? -91.7 114.96 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -126.48 174.14 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER 175.62 117.63 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.318 -179.915 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.01 -154.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.507 ' C ' ' N ' ' A' ' 68' ' ' TYR . 77.6 mmt-85 -80.73 -84.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.695 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -49.6 -16.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 108.321 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.67 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.8 ' HA ' HD13 ' A' ' 10' ' ' LEU . 14.7 ttm -38.56 -94.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.685 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 8.3 t30 -59.36 -41.55 89.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.695 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 1.1 tp10 -50.66 -45.91 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.6 t -64.21 -47.32 80.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.972 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -45.61 -53.81 8.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 1.003 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.28 -49.32 13.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 110.351 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.587 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 12.7 mm-40 -47.6 -48.77 28.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.737 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.0 mm -67.2 -46.35 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.99 -69.3 0.1 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 1.003 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.93 -47.89 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -51.71 -40.8 60.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.737 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.27 -50.84 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -16.76 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.712 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -75.31 -41.22 57.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.431 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.3 m-85 -79.36 6.19 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t 53.01 46.73 26.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.046 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' TYR . 38.1 t -129.95 151.07 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.36 155.39 69.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.3 Cg_endo -74.99 -13.42 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.48 -10.44 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 32.7 m-20 -110.49 -1.96 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 87' ' ' PRO . 51.3 mt -95.69 136.1 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.534 ' CG2' ' CD ' ' A' ' 131' ' ' GLN . 0.8 OUTLIER -130.77 118.02 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.553 HG12 ' CG ' ' A' ' 132' ' ' ARG . 9.9 p -99.46 121.82 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.661 HD11 ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -101.48 146.33 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 1.021 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.6 t-160 -161.17 -179.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.475 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.5 p30 -112.61 139.68 48.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' HG13 ' A' ' 137' ' ' ILE . 13.6 t0 -144.79 150.09 36.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -80.61 103.39 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.7 -80.53 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.93 -76.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -86.94 165.08 16.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.692 ' CE1' ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.92 37.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.51 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -166.0 51.24 0.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.661 ' NE ' ' CD1' ' A' ' 191' ' ' TRP . 0.1 OUTLIER -135.88 173.2 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 110.363 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.048 HG23 HD11 ' A' ' 165' ' ' ILE . 0.8 OUTLIER -123.44 159.06 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 134' ' ' ARG . 6.7 ttt180 -149.51 91.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.819 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.52 138.81 40.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.927 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 4.8 mtpt -144.73 -179.65 6.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.76 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.2 tp -99.31 -95.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.76 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -133.67 58.27 0.69 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.502 1.127 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -143.24 56.15 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -161.12 -102.58 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER 63.34 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 34.58 80.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 115' ' ' HIS . . . 82.22 -123.67 6.17 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 114' ' ' GLY . 23.1 m80 51.23 101.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.99 -31.29 62.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.932 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -69.67 -71.0 1.05 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 118' ' ' LEU . 5.9 mt -49.35 -42.37 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' HG12 ' A' ' 122' ' ' VAL . 5.7 ttt180 -63.17 -48.09 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.0 t -57.62 -30.32 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.955 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.978 HG12 HD12 ' A' ' 125' ' ' LEU . 3.1 t -75.85 -39.78 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.744 HG23 ' CE2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -59.39 -45.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.422 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -75.26 -38.74 60.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.689 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.37 -50.46 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.978 HD12 HG12 ' A' ' 121' ' ' VAL . 17.7 mt -82.59 -21.62 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.722 ' O ' HG22 ' A' ' 127' ' ' THR . . . 73.77 9.63 79.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.7 OUTLIER 62.87 136.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 110.378 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 2.0 tmtt? -164.65 27.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.625 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 16.5 t0 93.78 22.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.744 ' CE2' HG23 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -54.86 170.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.37 1.044 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.534 ' CD ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.89 161.75 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.647 ' NH2' ' CE1' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -142.65 154.61 44.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' A' ' 106' ' ' LEU . 9.2 t -130.24 84.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mpp_? -83.72 161.86 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.021 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -112.87 148.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.21 102.15 2.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.1 pp -126.32 75.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.979 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.63 94.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.467 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 2.0 t80 -76.92 -21.18 55.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.655 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -74.35 -34.29 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.614 HD13 ' HE2' ' A' ' 17' ' ' TYR . 1.1 mp -110.33 45.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.553 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 1.1 mm-40 -68.42 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.591 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -177.23 45.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.644 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.7 OUTLIER -70.71 26.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.945 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.591 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.9 OUTLIER -30.11 -49.6 0.33 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.373 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.644 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.98 -62.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -51.09 -46.47 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.711 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.09 -28.43 63.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -58.11 -46.04 86.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.733 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.4 -34.36 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.971 ' O ' HG22 ' A' ' 165' ' ' ILE . 1.8 tt0 -76.1 -37.11 58.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -53.08 -50.43 82.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.0 -28.79 8.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.602 HG22 ' N ' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -61.92 -58.88 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.048 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -69.26 -53.41 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.714 ' N ' HD13 ' A' ' 165' ' ' ILE . 55.7 m -44.22 -45.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.493 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 28.7 tp60 -66.79 -43.55 83.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.856 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.22 -46.56 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 39.3 m-20 -67.75 -42.01 82.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.723 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -60.68 -39.54 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -63.65 -53.12 56.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 2.1 pt-20 -60.57 -41.87 95.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -69.8 -41.3 75.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.7 tt -51.97 -48.42 64.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.22 -24.92 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.88 -48.58 77.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.41 -72.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.301 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -159.31 -169.89 23.2 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -90.65 -11.61 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -54.32 -44.88 99.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.02 -37.41 2.03 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.4 1.737 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.784 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.38 -44.85 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.602 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.5 tt0 -68.49 -35.9 78.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.763 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 24.4 t-20 -81.75 -22.1 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.29 -58.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.814 HG22 HD11 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -62.94 -49.87 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.602 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.1 OUTLIER -75.01 9.05 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -137.64 89.1 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.661 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.445 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.05 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -135.44 139.84 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -123.11 139.57 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.861 HG13 ' CG1' ' A' ' 91' ' ' ILE . 12.1 t -132.9 142.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -131.76 116.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.43 107.29 3.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -92.99 108.58 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.766 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.59 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -139.43 5.22 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.549 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 2.1 t-20 -135.56 126.63 17.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.99 -39.04 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -68.01 -130.53 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.818 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -164.75 -48.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 0.705 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -43.64 -45.69 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.875 ' O ' HG22 ' A' ' 20' ' ' THR . 0.4 OUTLIER -90.5 -18.63 24.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.818 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -71.27 -25.0 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -52.13 -40.45 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 17' ' ' TYR . 4.4 t -76.81 25.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.828 ' NE ' HG21 ' A' ' 162' ' ' VAL . 8.8 mmt180 65.9 21.91 11.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' GLY . 8.8 t-160 -68.63 11.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.59 ' HA ' ' CA ' ' A' ' 11' ' ' GLY . 64.6 t30 -125.31 26.75 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -54.05 -46.53 71.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.91 -59.17 6.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.5 t80 -75.05 -25.76 58.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.8 t -70.36 -38.96 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -79.07 -51.49 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.062 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.66 -32.55 63.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 3.3 m-20 -76.31 -56.8 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -46.04 -47.97 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.05 -47.74 76.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.177 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.783 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -60.38 -44.96 95.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.99 78.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' NH1' HD12 ' A' ' 31' ' ' LEU . 8.8 mpt_? -72.84 -49.82 27.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -83.81 19.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 67.96 -56.86 0.39 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.783 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 68.79 145.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.17 82.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 1.04 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -138.45 -155.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -154.28 -165.53 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.78 126.06 47.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.531 ' HB2' HG11 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -59.86 110.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.634 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -41.2 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -46.19 89.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.848 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -73.93 -46.71 42.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.41 60.36 0.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.172 . . . . 0.0 111.042 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.56 166.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.568 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 25.8 tp10 -71.9 150.68 43.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 21.6 m -146.04 114.38 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.04 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.13 107.99 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.815 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.34 126.4 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.79 -161.08 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.8 131.71 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.567 ' HB3' HD13 ' A' ' 177' ' ' ILE . 0.6 OUTLIER -179.3 -166.38 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 36.4 33.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ARG . . . 59.5 54.97 33.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' GLY . 1.4 mmt-85 160.01 158.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.06 170.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 pp -151.36 122.75 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.815 HG22 HG22 ' A' ' 52' ' ' THR . 24.9 t -105.95 99.13 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.062 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -101.51 101.94 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -119.96 176.23 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.713 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.27 123.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.7 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 -160.24 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 53.1 mmt-85 -77.07 -83.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.602 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.47 -18.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 108.33 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.7 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 19.9 m-85 59.53 -82.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.641 ' N ' HD13 ' A' ' 10' ' ' LEU . 1.3 ttm -37.29 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.646 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 47.9 m-20 -70.66 -45.26 65.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.602 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.4 OUTLIER -50.46 -37.81 40.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.685 ' N ' ' O ' ' A' ' 68' ' ' TYR . 92.6 p -70.47 -54.21 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.868 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.9 -51.43 4.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.925 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.31 -53.62 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 14.7 tp60 -42.19 -49.45 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.868 HG22 HD21 ' A' ' 125' ' ' LEU . 20.1 mt -66.99 -46.49 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.04 -67.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.925 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -46.5 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.848 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.02 -40.76 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.748 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.86 -49.68 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -17.03 61.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.711 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.1 t80 -75.45 -44.62 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -81.82 -12.44 58.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.0 t 55.08 47.52 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.537 HG22 ' OD1' ' A' ' 89' ' ' ASN . 4.5 p -107.48 158.36 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.547 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -80.2 156.51 74.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.658 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.03 -8.89 20.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.27 -16.12 62.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.791 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -108.76 0.17 20.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.667 ' CD1' HD22 ' A' ' 6' ' ' LEU . 4.6 mm -97.89 123.02 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.861 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -137.43 118.13 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 7.8 p -107.57 124.7 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.584 ' CD1' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -102.07 144.43 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 109.234 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.768 ' O ' HD12 ' A' ' 135' ' ' ILE . 11.2 t-160 -156.5 -178.39 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.704 ' OD2' HD21 ' A' ' 97' ' ' LEU . 5.0 p-10 -109.14 141.24 41.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.4 t0 -107.62 95.41 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.994 ' HB2' HG22 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -79.08 5.02 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -37.6 45.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -137.03 92.61 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.689 ' HA ' ' CA ' ' A' ' 137' ' ' ILE . 2.3 tm-20 -81.41 84.53 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CE1' ' HB2' ' A' ' 99' ' ' LEU . 1.8 m-85 -107.06 -12.62 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 136' ' ' GLY . . . 79.22 32.29 39.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.765 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp180 -124.15 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 0.813 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.828 HG23 HD11 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -109.1 160.61 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.36 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -150.0 109.26 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -121.54 130.26 53.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -149.4 178.04 9.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.546 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -111.32 -55.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.546 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -79.0 -72.31 1.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.24 -93.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . 135.62 60.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 118' ' ' LEU . 13.6 mt-10 64.43 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 0.774 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 92.19 50.23 2.66 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 52.19 71.04 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.425 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 25.5 m-70 -155.17 109.22 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.72 -28.56 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -67.04 -56.15 13.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.751 ' O ' HG12 ' A' ' 121' ' ' VAL . 3.5 mt -56.81 -52.43 65.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.447 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.6 ttt-85 -59.02 -32.14 69.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 14.8 t -73.47 -27.78 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.868 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.7 -43.15 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.884 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -65.77 -47.23 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -66.82 -37.96 85.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -75.7 -27.84 58.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.868 HD21 HG22 ' A' ' 76' ' ' ILE . 15.6 mt -85.01 -23.63 28.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.12 3.0 55.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.884 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -119.59 -157.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.372 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -177.16 62.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.469 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 13.2 m-20 -143.5 14.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.767 ' CZ ' HD13 ' A' ' 125' ' ' LEU . 39.0 m-85 -86.69 152.15 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.5 ' HG2' ' HA ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -101.08 162.81 12.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -143.43 150.12 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 106' ' ' LEU . 24.4 t -123.44 85.6 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -90.99 144.21 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.6 mp -104.59 147.53 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -89.0 97.34 2.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.689 ' CA ' ' HA ' ' A' ' 100' ' ' GLU . 1.8 pp -147.07 -164.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.562 ' C ' ' HB2' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.08 -40.49 85.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.497 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 1.3 m-85 -78.63 -24.37 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.994 HG22 ' HB2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -66.14 -43.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.854 HD22 ' CD2' ' A' ' 17' ' ' TYR . 1.9 mt -112.12 36.98 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -53.93 -89.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.638 ' C ' ' H ' ' A' ' 155' ' ' THR . 15.2 t30 154.03 49.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.867 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -67.56 26.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.638 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -33.57 -47.14 0.64 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.683 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.99 -62.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.867 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -50.54 -47.52 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.8 mt-10 -70.84 -29.08 65.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.021 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.84 -45.58 86.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.215 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.677 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.17 -36.35 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.872 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.7 mm-40 -75.49 -36.84 60.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.828 HG21 ' NE ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -51.1 -53.04 52.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.021 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -26.65 10.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.619 HG23 ' CH2' ' A' ' 191' ' ' TRP . 0.4 OUTLIER -62.59 -58.31 8.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.41 -54.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 170' ' ' ALA . 68.8 m -42.8 -44.73 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.239 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -66.52 -45.57 79.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.513 ' HG2' ' CD2' ' A' ' 191' ' ' TRP . 10.6 tp60 -65.85 -45.02 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.767 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -71.28 -38.4 71.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.09 -47.26 75.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -67.57 -41.96 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.643 ' HB2' HG23 ' A' ' 188' ' ' VAL . . . -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -63.92 -52.18 61.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.7 OUTLIER -58.11 -47.8 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -62.78 -36.23 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.655 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.5 tt -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 55' ' ' SER . 65.2 mt -65.05 -30.96 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.389 1.056 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -57.02 -66.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 110.246 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.63 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.87 -174.9 28.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.433 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 19.7 ptp -90.61 -9.94 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 7.7 mm-40 -53.37 -43.74 96.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.01 -36.83 2.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.745 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.66 -45.4 90.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.5 tt0 -68.54 -36.31 78.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.96 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.98 -22.95 36.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.6 ttt180 -100.44 -58.72 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.745 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -64.86 -48.81 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -79.5 17.67 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.66 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.96 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -103.41 -42.37 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CH2' HG23 ' A' ' 164' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.509 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.01 140.63 25.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.831 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -106.49 136.67 45.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.64 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -104.58 143.51 32.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 91' ' ' ILE . 2.8 m -132.61 141.32 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -129.92 123.0 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.64 113.17 4.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.839 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.48 103.04 15.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.241 -179.899 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.486 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.27 -149.47 10.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 22' ' ' HIS . 12.1 t-20 -137.45 117.8 10.5 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.433 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -1.66 11.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.51 -138.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.48 -86.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 0.703 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -51.49 -21.88 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.986 ' O ' HG22 ' A' ' 20' ' ' THR . 0.1 OUTLIER -99.45 -23.37 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.64 -25.34 62.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 21' ' ' ARG . 1.5 tpt180 -68.46 -25.01 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.986 HG22 ' O ' ' A' ' 17' ' ' TYR . 6.3 t -72.28 7.22 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.624 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 85.39 11.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -69.55 11.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.629 ' HB3' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -124.85 18.73 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.104 HD23 HD13 ' A' ' 135' ' ' ILE . 1.2 tp -40.0 -46.72 2.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -52.16 -59.55 8.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -75.32 -20.19 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.629 HG23 ' HB3' ' A' ' 23' ' ' ASN . 1.9 t -76.11 -39.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.186 . . . . 0.0 109.251 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.521 HG11 ' CD1' ' A' ' 93' ' ' ILE . 4.2 p -80.16 -37.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.013 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -69.18 -35.15 75.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.578 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 11.9 t0 -74.32 -44.56 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -56.73 -51.27 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.17 61.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -78.13 -29.63 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -96.67 -44.46 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -32.97 72.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.55 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 89.25 -3.35 84.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . -42.34 172.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 69.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.177 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.792 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -62.13 -169.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -125.62 176.6 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -130.34 140.99 50.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' ALA . 49.2 t60 71.66 -75.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.77 -77.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -149.51 -66.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.976 ' CB ' HD11 ' A' ' 79' ' ' LEU . 13.9 t -50.23 -26.64 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.59 56.64 1.02 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.586 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -167.87 176.0 6.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.693 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.3 mm-40 -89.81 149.36 22.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.809 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -146.41 115.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -106.9 106.6 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.827 HG22 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -99.76 122.55 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.73 -162.24 10.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.1 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 1.5 mtt180 -154.02 113.65 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 5.3 m -143.41 -178.41 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.946 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.705 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 44.21 25.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.2 50.59 38.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.13 156.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.737 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.5 m -69.22 163.81 24.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.93 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.6 pp -154.68 121.77 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.827 HG22 HG22 ' A' ' 52' ' ' THR . 77.7 t -109.23 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.013 HD11 ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -92.46 109.21 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -120.4 171.09 8.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.619 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -177.01 120.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.636 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.04 -156.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 22.2 mmt85 -83.4 -86.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -45.79 -20.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.75 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.8 m-85 62.92 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.767 ' CA ' HD13 ' A' ' 10' ' ' LEU . 57.4 ttp -35.76 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' N ' ' HG2' ' A' ' 69' ' ' MET . 7.9 m120 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -59.2 -42.11 90.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.212 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.75 ' N ' ' O ' ' A' ' 68' ' ' TYR . 36.3 t -69.67 -52.41 26.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.597 1.186 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.975 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.81 -52.97 14.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.36 -45.47 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 6.7 tp60 -45.02 -49.22 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.726 ' O ' ' N ' ' A' ' 80' ' ' ALA . 15.8 mm -68.63 -47.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.85 -68.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -74.93 -46.73 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.976 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.37 -40.46 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.64 -49.39 59.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -16.87 59.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.793 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -77.64 -43.17 32.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.771 ' HB3' HG23 ' A' ' 85' ' ' VAL . 12.1 m-85 -84.95 -16.71 40.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t 51.27 45.78 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.771 HG23 ' HB3' ' A' ' 83' ' ' TYR . 84.7 t -101.11 173.51 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.646 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -73.04 123.96 90.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.804 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.3 Cg_endo -75.04 -13.03 21.44 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.27 0.87 15.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.831 ' OD1' HD23 ' A' ' 5' ' ' LEU . 7.2 m-20 -113.28 -11.74 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 87' ' ' PRO . 13.8 mt -90.71 133.53 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.963 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -137.28 142.88 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.814 HG22 ' CG2' ' A' ' 8' ' ' VAL . 23.1 t -119.44 127.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.637 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -110.7 142.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.725 ' O ' HD12 ' A' ' 135' ' ' ILE . 4.3 t60 -158.05 176.95 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.601 ' CB ' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -100.37 142.11 32.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 137' ' ' ILE . 8.7 t0 -148.2 150.7 34.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.88 115.01 22.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.445 ' C ' HD12 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -114.37 -84.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.372 179.924 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 98' ' ' ASP . 5.0 mp -137.45 -70.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.4 tm-20 -86.03 164.49 17.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -94.82 22.48 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.432 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -155.08 54.62 0.42 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.823 ' O ' HG23 ' A' ' 135' ' ' ILE . 5.0 tmm_? -134.61 156.33 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.005 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.3 pp -122.3 156.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 134' ' ' ARG . 16.1 ttt180 -146.17 113.15 6.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.818 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.1 132.9 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.45 -179.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.795 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -112.73 -83.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.478 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -94.05 -81.22 1.51 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.4 140.49 0.25 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.14 -162.06 23.57 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 132' ' ' ARG . 3.6 tm-20 62.68 81.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.47 -81.61 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.12 67.86 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.37 129.35 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.567 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -37.6 74.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -63.99 -64.53 3.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.443 HD11 ' HG2' ' A' ' 134' ' ' ARG . 10.5 mt -53.01 -45.18 67.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 122' ' ' VAL . 6.1 ttt180 -64.74 -34.8 79.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.2 t -64.82 -36.64 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 1.002 HG12 HD12 ' A' ' 125' ' ' LEU . 5.8 t -74.51 -39.48 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.545 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -63.35 -47.42 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.21 -41.66 73.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.681 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -63.69 -46.12 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 1.002 HD12 HG12 ' A' ' 121' ' ' VAL . 13.3 mt -79.4 -21.91 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 127' ' ' THR . . . 71.13 12.87 72.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.67 ' HA ' ' CZ ' ' A' ' 130' ' ' PHE . 0.6 OUTLIER 89.13 120.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.398 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.594 ' HB3' ' CG ' ' A' ' 87' ' ' PRO . 23.1 mmtt -152.88 19.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.76 ' O ' HD11 ' A' ' 108' ' ' ILE . 1.1 m-20 63.02 23.46 14.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 1.202 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.791 ' HD2' HD13 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -48.36 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.588 ' OE1' HG22 ' A' ' 91' ' ' ILE . 83.7 mt-30 -116.26 155.87 27.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -141.38 147.94 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.257 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 106' ' ' LEU . 18.8 t -140.24 83.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -91.13 144.2 25.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.104 HD13 HD23 ' A' ' 24' ' ' LEU . 2.7 mp -94.29 148.91 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 98' ' ' ASP . . . -99.47 91.53 1.06 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.8 pp -110.76 77.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.128 . . . . 0.0 111.006 179.959 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 1.5 t80 -75.79 -35.13 60.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -60.22 -33.73 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.663 HD13 ' HE1' ' A' ' 17' ' ' TYR . 28.4 mt -91.0 30.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.717 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.3 mm-40 -52.92 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.717 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 20.8 t30 134.91 46.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.869 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -69.99 33.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.824 HG23 ' HD3' ' A' ' 156' ' ' PRO . 0.1 OUTLIER -16.28 -52.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.488 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.824 ' HD3' HG23 ' A' ' 155' ' ' THR . 18.5 Cg_endo -75.07 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.869 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -44.85 -36.68 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.7 mt-10 -77.88 -31.51 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -57.86 -44.0 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.692 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -80.48 -33.63 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.591 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 2.9 tp10 -75.62 -34.87 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.224 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -58.1 -51.94 78.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -74.97 -24.63 12.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -59.89 -57.77 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.942 ' CG1' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -76.86 -45.05 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.872 ' N ' HD13 ' A' ' 165' ' ' ILE . 31.6 m -48.8 -45.44 40.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.262 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -69.38 -44.95 70.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.619 ' CD ' ' CH2' ' A' ' 191' ' ' TRP . 0.2 OUTLIER -61.88 -41.81 98.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.22 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 1.005 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.63 -42.15 78.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.25 -41.77 72.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -67.81 -44.89 76.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.094 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.75 -42.95 85.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.5 m -64.6 -52.25 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.48 -46.38 83.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.486 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.4 tt -54.27 -49.86 68.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.705 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 15.3 mt -73.91 -25.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.85 -29.68 68.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.4 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.43 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -162.95 174.59 39.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -88.06 -19.08 27.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -45.73 -49.25 37.49 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.9 -40.2 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.87 -35.76 81.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.47 -41.41 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 24.1 t-20 -78.34 -20.28 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.464 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.75 -51.93 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.094 HG21 ' HB2' ' A' ' 172' ' ' ALA . 15.7 t -89.36 -57.96 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.3 t-80 -68.46 24.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.634 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -136.57 66.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CH2' ' CD ' ' A' ' 168' ' ' GLN . 10.6 m95 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.008 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.0 -174.44 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.539 1.81 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -133.76 140.76 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 7' ' ' VAL . 4.5 tt -106.68 144.74 32.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.783 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -128.19 140.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.774 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.66 124.74 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.34 115.29 5.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.845 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -102.01 100.01 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.42 -148.56 7.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' HIS . 3.5 m-20 -134.99 127.5 18.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.89 -152.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.64 -77.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -51.87 -32.31 31.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 1.087 ' CD1' HD11 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -92.42 -20.51 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -73.07 -39.78 65.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' A' ' 21' ' ' ARG . 35.3 mmt-85 -42.42 -27.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' THR . . . . . 1.048 HG21 HD13 ' A' ' 151' ' ' LEU . 14.2 p -77.19 25.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.64 HH21 HG21 ' A' ' 27' ' ' VAL . 8.9 mmp_? 66.94 10.68 7.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -62.57 4.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.674 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.9 t-20 -125.75 33.73 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.9 HD13 HD13 ' A' ' 135' ' ' ILE . 4.4 mt -62.6 -42.46 99.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -55.44 -47.05 78.43 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.609 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.7 t80 -83.0 -25.24 32.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 23' ' ' ASN . 17.0 t -76.59 -40.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.633 HG22 ' SG ' ' A' ' 166' ' ' CYS . 61.5 t -80.04 -36.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -64.68 -44.52 90.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.195 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 26.6 t0 -70.29 -43.24 70.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -55.15 -51.64 65.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.1 -61.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -59.68 -19.95 52.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -80.1 -28.66 39.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -97.81 -42.53 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 55' ' ' SER . 0.3 OUTLIER -64.35 -164.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.99 27.61 19.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -99.47 118.43 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 48.43 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 2.0 t80 -79.62 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.588 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER 157.59 -160.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -108.21 151.09 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.57 169.67 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -66.09 -149.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.6 mtp85 -34.2 149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.479 ' C ' HD11 ' A' ' 79' ' ' LEU . 15.8 m 35.84 30.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -115.85 -69.81 0.45 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 46.72 -172.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.609 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -71.69 135.67 46.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.654 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -154.18 158.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.63 1.206 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -164.21 109.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.963 HG22 HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -93.96 126.81 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 -162.85 9.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mtp-105 -154.54 131.13 10.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.226 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.891 ' HB3' HD11 ' A' ' 36' ' ' LEU . 5.7 p -163.43 -178.12 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 174' ' ' GLU . . . 41.46 27.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.33 52.17 42.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.596 1.185 . . . . 0.0 111.013 -179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' SER . 2.1 mmt-85 178.37 154.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.428 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 3.2 m -77.24 162.68 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 55' ' ' SER . 3.6 pp -149.15 126.99 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.963 HG22 HG22 ' A' ' 52' ' ' THR . 14.5 t -107.33 106.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.693 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -99.26 127.0 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.211 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.538 ' CB ' HG22 ' A' ' 50' ' ' VAL . . . -143.28 162.72 34.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 177.66 122.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.08 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 12.3 mmt85 -78.2 -81.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.588 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -46.96 -22.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 108.265 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.889 ' O ' ' N ' ' A' ' 72' ' ' SER . 26.2 m-85 60.95 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.845 ' HA ' HD13 ' A' ' 10' ' ' LEU . 4.0 ttt -28.29 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.617 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -71.88 -48.88 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.588 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 8.6 tt0 -51.34 -35.56 38.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.889 ' N ' ' O ' ' A' ' 68' ' ' TYR . 84.4 p -70.59 -56.49 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.056 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.863 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -42.33 -48.84 5.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.959 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.81 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.573 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.2 tp60 -38.9 -50.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 18.8 mt -66.02 -43.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.35 -70.58 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.959 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.03 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.22 -40.22 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -68.06 -50.89 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -15.92 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.687 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -76.1 -44.27 39.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.529 ' HB3' HG23 ' A' ' 85' ' ' VAL . 11.8 m-85 -82.26 -12.15 58.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.2 t 58.14 54.62 5.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 110.048 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.529 HG23 ' HB3' ' A' ' 83' ' ' TYR . 46.1 t -104.87 167.95 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.527 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -88.64 154.16 50.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.497 ' CG ' ' HB2' ' A' ' 129' ' ' ASP . 18.3 Cg_endo -75.07 -24.73 12.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.63 1.7 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.6 m-20 -111.61 -24.32 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.3 tt -88.98 135.81 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.783 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -136.63 141.0 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.774 HG22 ' CG2' ' A' ' 8' ' ' VAL . 24.9 t -117.88 130.68 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.774 HG22 ' HB ' ' A' ' 133' ' ' VAL . 2.1 pt -110.36 148.02 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.363 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.605 ' O ' HD12 ' A' ' 135' ' ' ILE . 6.5 t-160 -155.4 170.78 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.868 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -98.64 146.06 26.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.649 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.06 157.99 32.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.951 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.872 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -99.16 101.4 12.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 138' ' ' GLY . 85.7 m-20 -88.72 -74.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -135.47 -79.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.2 tm-20 -92.19 170.75 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.617 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -91.94 70.83 5.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.581 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 161.67 48.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.736 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -136.52 163.15 31.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.465 0.744 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 1.06 HG23 HD11 ' A' ' 165' ' ' ILE . 0.8 OUTLIER -122.14 165.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.51 103.56 3.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.796 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.28 140.3 37.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -159.1 173.07 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -108.18 -54.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -82.27 -67.53 1.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 62.39 -143.47 48.67 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -99.14 -63.87 0.84 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.5 tt0 68.24 -63.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 0.735 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . -36.38 -65.29 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.8 -45.34 93.61 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.409 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -61.25 122.61 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.541 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -45.76 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.41 -61.38 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.734 HD13 ' HD3' ' A' ' 132' ' ' ARG . 11.5 mt -53.37 -46.89 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.6 ttt180 -58.81 -35.31 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -69.15 -35.11 76.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.863 HG22 ' HA2' ' A' ' 73' ' ' GLY . 27.2 t -65.92 -44.11 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.788 HG13 ' O ' ' A' ' 127' ' ' THR . 38.5 t -71.13 -30.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.84 -39.5 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -72.74 -44.5 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 1.09 HD13 ' CE1' ' A' ' 130' ' ' PHE . 13.3 mt -79.74 -24.31 41.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 64.93 5.93 21.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.409 1.068 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.788 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -98.39 -152.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.411 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -179.6 49.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.497 ' HB2' ' CG ' ' A' ' 87' ' ' PRO . 0.9 OUTLIER -132.57 -0.85 3.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 1.09 ' CE1' HD13 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -66.63 156.03 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.449 ' OE1' HG22 ' A' ' 91' ' ' ILE . 29.1 mt-30 -100.53 159.79 14.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.734 ' HD3' HD13 ' A' ' 118' ' ' LEU . 12.0 mtt-85 -133.34 149.99 51.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.234 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.774 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.3 t -144.14 81.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.607 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.9 mtp180 -86.43 145.19 26.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.9 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 mt -96.36 150.58 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 96' ' ' ASP . . . -109.79 102.52 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.7 pp -119.45 82.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -26.18 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.606 HG12 HD23 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -81.71 -30.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 1.087 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.8 mm? -97.9 39.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.726 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 39.4 tt0 -61.35 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.726 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 18.6 t30 132.4 45.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.864 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -72.67 28.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.605 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.99 -52.51 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.73 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.96 -72.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.864 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.86 11.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.4 mm-40 -75.17 -30.42 60.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.999 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.759 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.36 -34.9 58.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 1.008 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.1 mm-40 -76.23 -37.46 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.0 t -51.67 -49.36 83.51 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.999 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.7 Cg_endo -74.94 -30.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.456 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 42.7 m -62.73 -59.04 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.06 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.5 -53.27 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.838 ' N ' HD13 ' A' ' 165' ' ' ILE . 50.9 m -44.9 -49.36 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 108.267 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.95 -47.02 84.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.52 ' HB3' HG13 ' A' ' 188' ' ' VAL . 11.1 mm100 -61.36 -47.36 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 1.032 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.91 -44.66 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -68.1 -47.21 68.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.057 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -58.8 -44.97 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -60.66 -50.68 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 56' ' ' ALA . 2.2 pt-20 -62.83 -40.19 96.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -44.92 79.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 181' ' ' MET . 7.4 tp -52.16 -53.8 38.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.28 -26.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 179' ' ' GLN . 1.2 tt0 -57.14 -63.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 179' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 178' ' ' GLU . 2.6 mt-30 157.92 28.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.19 125.18 1.73 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.485 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 0.0 OUTLIER -117.17 -28.64 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 0.709 . . . . 0.0 111.042 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.5 mt-10 -68.72 -37.73 10.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.96 -39.27 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.84 -38.26 90.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -70.87 -39.86 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 1.032 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 31.5 m-20 -82.11 -21.87 36.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -91.16 -53.51 4.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.057 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 50.4 t -86.44 -55.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -72.6 22.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 1.032 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -84.32 -50.35 7.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.581 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.2 p-90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 107.963 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 3.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.59 8.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.559 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -133.39 138.37 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.693 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -114.25 140.69 48.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.841 HG13 ' CG1' ' A' ' 91' ' ' ILE . 14.9 t -130.44 144.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.785 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.44 121.27 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.02 118.23 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 72' ' ' SER . 0.1 OUTLIER -94.73 108.34 20.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -124.54 -157.21 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.599 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 1.3 m120 -133.72 120.46 15.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.04 -12.0 21.42 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -57.87 -121.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.418 1.074 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.75 -74.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 0.83 . . . . 0.0 109.235 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.2 -38.62 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.929 ' O ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER -89.05 -21.89 23.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.58 67.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -54.42 -27.68 38.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 17' ' ' TYR . 1.6 t -75.71 19.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.47 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.594 ' C ' ' H ' ' A' ' 23' ' ' ASN . 1.8 mtt180 76.81 5.65 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.599 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 13.4 t-160 -64.56 5.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.569 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 21' ' ' ARG . 32.9 t30 -122.65 23.02 9.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 135' ' ' ILE . 3.3 mt -47.87 -43.13 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.717 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -51.14 -59.41 8.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.408 1.067 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 24.6 t80 -76.78 -23.62 52.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -72.25 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 t -77.07 -54.77 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.06 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -54.19 -36.07 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.1 m-20 -68.65 -53.38 22.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.37 -53.18 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.892 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -59.45 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -62.56 -24.63 67.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.95 -32.43 57.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.59 -43.47 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.31 19.42 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 36.36 29.76 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.716 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -38.71 149.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 0.714 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -133.64 40.38 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.73 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -62.71 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -156.45 -164.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.07 146.94 9.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -129.25 -170.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.07 -173.23 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 46' ' ' SER . 9.4 ttm180 51.55 -100.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.635 ' CB ' HD21 ' A' ' 79' ' ' LEU . 65.7 m -110.02 28.89 8.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -98.28 -66.33 0.88 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 49.3 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.688 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 2.6 mm-40 -71.16 145.45 49.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.73 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -162.77 133.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.662 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -137.75 117.48 13.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.26 125.96 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -119.41 99.27 0.75 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.561 1.163 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG3' ' OG ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -113.93 110.45 20.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 166.86 -168.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.68 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 52.9 21.9 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 71.22 42.37 57.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.599 1.187 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.0 OUTLIER 173.86 159.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 2.4 t -107.84 169.64 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.9 pp -163.1 124.64 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG11 HD11 ' A' ' 6' ' ' LEU . 35.0 t -103.44 94.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.06 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -93.12 118.8 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -141.26 177.39 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.721 ' HE2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 174.75 131.73 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.694 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.97 -155.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.52 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.9 mmt180 -83.95 -84.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.571 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -45.11 -21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.297 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.815 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 m-85 61.28 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' TYR . 31.0 ttm -29.71 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -70.28 -33.64 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.571 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER -58.89 -34.88 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 68' ' ' TYR . 22.9 t -77.51 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.937 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -40.0 -52.53 3.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.31 -47.22 44.44 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 0.746 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.8 tt0 -43.14 -51.18 6.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.814 HG22 HD21 ' A' ' 125' ' ' LEU . 20.5 mt -67.31 -45.8 85.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.14 -69.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.994 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.93 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.635 HD21 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.32 -40.19 61.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.77 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.89 -51.11 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -73.07 -16.33 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.55 -45.08 40.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.482 ' HB3' HG23 ' A' ' 85' ' ' VAL . 17.3 m-85 -88.16 -1.42 58.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.3 t 54.87 46.06 25.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.504 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 79.6 t -105.01 146.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.513 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.18 154.54 69.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.828 ' HG3' HG21 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.12 -12.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -15.7 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.693 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.4 p30 -110.06 -12.81 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.485 ' HB ' ' HA ' ' A' ' 87' ' ' PRO . 90.4 mt -86.34 130.4 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.841 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -137.85 118.88 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.785 HG22 ' CG2' ' A' ' 8' ' ' VAL . 11.4 t -103.21 134.41 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.95 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -114.43 143.83 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -158.35 177.33 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.625 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.688 ' CB ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -98.3 142.8 29.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 135' ' ' ILE . 9.2 t0 -148.78 174.07 12.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 106.29 16.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.83 -65.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.4 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 2.3 mp -124.43 -120.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -87.16 -169.67 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -91.85 50.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -174.2 42.44 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.593 ' HG2' ' CZ2' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -135.23 156.99 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 0.813 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.905 HG23 HD11 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -115.33 164.5 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 134' ' ' ARG . 12.0 tpt180 -149.81 97.62 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.859 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.36 130.52 52.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -152.46 -178.75 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.673 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -131.8 -87.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -42.1 -82.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.83 -120.09 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.9 49.82 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 44.47 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 118' ' ' LEU . . . -49.51 143.42 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -45.43 97.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.67 125.13 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.73 . . . . 0.0 109.549 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -56.8 -26.01 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.78 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.86 -62.29 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.432 1.082 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 113' ' ' GLY . 0.8 OUTLIER -58.2 -42.37 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.483 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -61.23 -33.68 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -75.36 -30.74 60.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.937 HG22 ' HA2' ' A' ' 73' ' ' GLY . 48.0 t -71.58 -43.12 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.04 -43.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.402 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -71.42 -37.25 71.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -71.91 -47.89 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.814 HD21 HG22 ' A' ' 76' ' ' ILE . 31.1 mt -77.62 -23.12 49.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.68 2.04 48.69 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.828 HG21 ' HG3' ' A' ' 87' ' ' PRO . 13.5 t -126.71 177.53 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.617 0.834 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.538 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -142.42 18.59 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 9.22 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 2.1 p90 -86.73 164.09 16.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 30.2 mt-30 -100.57 156.83 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -134.31 147.78 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.95 ' HB ' HG22 ' A' ' 93' ' ' ILE . 19.7 t -133.1 81.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -86.53 144.04 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -96.86 136.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -90.34 104.08 3.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.565 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 3.1 pt -105.89 154.96 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.13 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 3.2 t80 -72.41 -30.53 64.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.548 ' CG2' HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -72.3 -34.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.531 HD13 ' CE1' ' A' ' 17' ' ' TYR . 39.4 mt -92.47 28.38 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.616 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.2 mm-40 -65.72 -104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.617 ' C ' ' H ' ' A' ' 155' ' ' THR . 10.6 t30 145.56 49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.853 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.09 29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.617 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -22.75 -51.73 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.6 1.187 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.705 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.92 -68.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.853 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.15 -40.43 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.646 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -75.01 -30.91 61.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.2 -43.67 87.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.707 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.44 -34.19 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 1.022 ' O ' HG22 ' A' ' 165' ' ' ILE . 10.1 mm-40 -74.72 -36.03 62.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.646 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -56.61 -52.15 75.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.91 -24.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.59 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.9 m -66.23 -61.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.022 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.05 -53.66 31.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.658 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -45.69 -47.6 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.178 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -57.9 -47.44 82.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.56 ' CG ' HG13 ' A' ' 188' ' ' VAL . 1.1 tp-100 -64.53 -48.27 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.679 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -65.78 -36.18 82.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -59.1 -42.52 90.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.2 m-20 -65.79 -44.85 84.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.962 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -61.37 -37.52 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 5.2 m -62.89 -51.32 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.77 -47.62 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.81 -35.68 81.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.5 tt -55.35 -52.18 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 56' ' ' ALA . 26.5 mt -72.33 -23.79 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.6 -41.83 83.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.082 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.19 -71.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.42 176.35 35.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 8.6 ptp -90.48 -16.31 29.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 6.2 mt-10 -50.49 -46.33 84.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.02 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.946 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -65.42 -39.01 91.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 189' ' ' HIS . 4.8 tt0 -70.7 -39.2 73.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.99 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.3 t-20 -81.3 -19.62 42.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 1.3 ttt-85 -95.16 -53.03 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.962 HG21 ' HB2' ' A' ' 172' ' ' ALA . 75.8 t -88.11 -57.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 185' ' ' GLN . 26.7 m80 -71.82 21.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.99 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -84.54 -41.69 16.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 103' ' ' ARG . 1.4 p-90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -129.14 137.64 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.858 HD23 ' N ' ' A' ' 7' ' ' VAL . 7.7 tt -106.59 149.24 27.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.926 HG12 HG12 ' A' ' 91' ' ' ILE . 15.6 m -132.38 141.06 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -128.38 124.64 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.71 110.18 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -97.05 97.01 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.71 -143.16 6.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.155 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 2.3 t30 -135.24 127.37 17.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.1 23.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' ALA . . . 74.73 162.26 9.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.425 1.078 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.763 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -39.55 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 m120 37.86 -139.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.584 ' HB3' HD11 ' A' ' 151' ' ' LEU . 2.3 m-85 -69.12 -14.85 63.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -48.15 -24.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 17' ' ' TYR . 3.3 tpt180 -68.39 -45.91 71.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.708 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 44.3 p -67.95 -2.42 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.982 ' NH1' HG21 ' A' ' 27' ' ' VAL . 3.3 tpp180 104.12 13.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CB ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -71.28 14.57 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.459 1.099 . . . . 0.0 109.655 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.572 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.4 t-20 -123.17 12.7 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.105 HD13 HD13 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -39.72 -45.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -47.01 -56.68 7.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 59.4 t80 -83.95 -23.13 31.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.982 HG21 ' NH1' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -70.47 -45.18 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.726 HG23 HD23 ' A' ' 24' ' ' LEU . 1.8 t -79.79 -45.96 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.757 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.5 -35.69 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' ALA . 29.1 t0 -73.92 -53.38 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.66 -48.28 75.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD12 HG13 ' A' ' 28' ' ' VAL . 4.5 mt -59.85 -59.25 5.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -61.11 -19.04 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.72 -29.26 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.63 -42.27 10.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.344 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -19.42 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.88 -14.83 60.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 33' ' ' ALA . . . -64.47 146.2 54.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.19 49.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 1.7 t80 -61.07 -118.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 175.93 -161.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -127.36 150.7 49.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ALA . 22.9 m-70 -121.87 152.59 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.572 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -173.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.4 ttp180 37.41 -144.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.423 ' C ' HD11 ' A' ' 79' ' ' LEU . 2.5 p -67.58 56.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -128.99 -52.35 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.58 -171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.578 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 12.8 tp10 -70.07 147.24 50.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 71.7 t -156.68 152.4 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -163.75 106.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -86.19 147.99 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 60' ' ' LEU . . . -148.6 -165.84 12.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.98 130.62 13.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 0.822 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -175.91 179.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 174' ' ' GLU . . . 44.77 25.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 66.8 41.89 93.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' SER . 5.4 tpm_? -175.4 154.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.89 164.61 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.4 OUTLIER -139.92 128.05 22.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.198 -179.917 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.48 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 94.1 t -107.97 96.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.857 ' HA ' HG23 ' A' ' 7' ' ' VAL . 2.1 tm? -94.3 121.81 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.499 ' C ' ' HD2' ' A' ' 64' ' ' LYS . . . -142.25 167.64 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.608 ' NZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -176.55 126.2 0.32 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 -179.919 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.03 -155.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.527 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.2 mmt180 -80.55 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.653 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.43 -16.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 108.342 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.68 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.0 m-85 60.69 -82.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.813 ' HA ' HD13 ' A' ' 10' ' ' LEU . 24.5 ttm -37.71 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.666 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 10.4 t-20 -59.54 -42.92 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.653 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.3 OUTLIER -50.45 -42.42 54.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 39.8 t -65.59 -51.51 59.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.868 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -43.77 -51.46 6.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.935 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.45 -54.48 6.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.569 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -43.0 -49.28 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -66.53 -44.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.0 -69.57 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.935 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.96 -47.19 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -53.49 -41.21 66.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.969 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.14 -50.16 62.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.73 61.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.3 t80 -73.42 -43.34 60.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.576 ' O ' HG23 ' A' ' 85' ' ' VAL . 6.8 m-85 -78.95 1.5 23.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 p 52.14 46.96 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 83' ' ' TYR . 79.3 t -127.21 151.18 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' OD1' ' A' ' 89' ' ' ASN . . . -83.01 157.98 65.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.568 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.96 -9.11 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.434 1.754 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -19.39 57.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -102.94 -17.73 15.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.755 HD13 HD12 ' A' ' 76' ' ' ILE . 33.2 mt -86.05 134.92 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.926 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -136.97 123.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.6 p -102.03 137.0 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.957 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -114.62 147.08 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.979 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.2 t60 -153.64 167.05 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.415 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -91.79 142.1 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -154.12 167.41 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.647 HD21 HG23 ' A' ' 150' ' ' VAL . 1.4 mp -99.0 133.03 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.46 ' OD1' HD12 ' A' ' 99' ' ' LEU . 11.5 t0 -126.63 -85.49 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.46 HD12 ' OD1' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -136.44 -74.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -88.99 166.2 14.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.74 55.46 2.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 175.94 49.01 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -134.07 163.09 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 0.726 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.61 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -123.06 165.96 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.8 mmt180 -147.77 106.49 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.801 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.8 139.08 41.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 165.71 34.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -105.21 -54.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.499 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -85.87 -95.33 0.79 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.428 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . 75.7 -85.58 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.66 119.25 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.586 ' CD ' HG21 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -38.85 -55.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 53.68 -129.38 41.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . -79.48 62.96 4.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 114' ' ' GLY . 61.7 m-70 -147.73 106.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.584 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.07 -37.34 78.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.81 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.86 -65.92 3.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 122' ' ' VAL . 8.5 mt -53.11 -50.15 65.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -57.68 -34.7 69.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.5 m -70.19 -30.62 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.868 HG22 ' HA2' ' A' ' 73' ' ' GLY . 15.4 t -71.07 -42.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 127' ' ' THR . 10.3 t -70.06 -33.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.5 -37.85 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.79 -47.43 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.969 HD21 ' HB3' ' A' ' 80' ' ' ALA . 15.1 mt -81.24 -23.52 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 68.33 4.69 38.51 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.922 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -118.0 176.11 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.549 ' HE2' ' CE1' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -143.03 62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -131.13 18.25 4.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.718 ' CE1' HG22 ' A' ' 122' ' ' VAL . 30.9 p90 -90.99 172.18 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.553 ' OE1' HG22 ' A' ' 91' ' ' ILE . 33.7 mt-30 -115.7 159.11 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.428 ' NH1' ' HA3' ' A' ' 110' ' ' GLY . 0.3 OUTLIER -130.67 147.75 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.957 ' HB ' HG22 ' A' ' 93' ' ' ILE . 8.2 t -140.26 81.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -87.71 145.19 26.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.105 HD13 HD13 ' A' ' 24' ' ' LEU . 3.5 mp -96.99 149.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 98' ' ' ASP . . . -108.87 95.4 0.91 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.655 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -105.52 101.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.558 1.161 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.73 -36.53 72.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.0 t80 -75.8 -25.39 56.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.904 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -77.02 -29.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.904 HD22 HG12 ' A' ' 150' ' ' VAL . 4.5 mm? -90.36 44.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.8 mm-40 -67.75 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.5 t30 145.64 45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.765 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -76.77 27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.563 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.26 -52.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.671 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.01 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.765 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -41.78 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.346 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.695 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.2 mt-10 -74.96 -29.55 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.992 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.23 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.731 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.87 -35.47 59.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.847 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.9 tp10 -77.76 -37.48 48.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.695 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -50.78 -49.29 80.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.992 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -36.89 2.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 168' ' ' GLN . 21.6 m -51.95 -53.48 40.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -76.73 -47.37 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.913 ' N ' HD13 ' A' ' 165' ' ' ILE . 53.8 t -48.64 -54.51 14.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.668 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 1.1 mm-40 -58.63 -52.97 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.235 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 164' ' ' THR . 0.0 OUTLIER -58.37 -48.91 79.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.565 ' CB ' HG12 ' A' ' 104' ' ' ILE . . . -70.8 -29.71 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.94 -47.42 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -70.22 -43.81 69.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.659 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.1 -41.65 97.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.9 m -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -56.45 -45.21 80.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.484 ' HA ' ' CB ' ' A' ' 178' ' ' GLU . 0.6 OUTLIER -68.43 -39.66 81.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.714 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.1 tt -50.59 -47.77 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.485 HG21 HD13 ' A' ' 5' ' ' LEU . 72.6 mt -81.56 -21.25 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.484 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 8.4 tm-20 -58.07 -49.2 77.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -139.13 -72.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -142.88 168.23 26.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.517 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 15.8 ptp -90.67 -9.48 46.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 0.808 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.551 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -46.72 -48.51 49.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.582 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -75.01 -37.14 2.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.719 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.88 -43.25 93.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -68.52 -38.31 80.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 1.003 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.97 -24.47 35.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.97 -56.38 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.719 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -71.73 -50.73 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -79.86 16.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 1.003 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -77.49 -54.82 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 188' ' ' VAL . 31.1 p90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.01 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.434 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 1.4 pt-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.19 31.89 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.603 1.844 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 59' ' ' SER . 2.0 mt -135.74 136.55 40.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.837 HD13 HG12 ' A' ' 90' ' ' ILE . 1.2 tt -122.35 139.11 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.223 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.903 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.9 139.41 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -132.66 122.27 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.02 110.95 3.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.814 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -96.27 105.26 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.265 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -133.58 -137.92 3.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.53 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 1.2 m120 -134.26 130.92 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.99 75.98 3.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 60.07 139.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . 164.0 136.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -54.17 -37.6 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.55 ' HE1' HD13 ' A' ' 151' ' ' LEU . 7.6 t80 -84.15 -18.47 36.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.895 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . . . -71.34 -38.5 71.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' ' C ' ' A' ' 20' ' ' THR . 17.4 mmt85 -46.58 -49.61 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.759 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 71.2 p -27.8 -43.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.759 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 160.89 -9.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' ' HD3' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -54.16 -3.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.1 t-20 -117.11 37.74 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -66.95 -52.19 46.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.635 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -48.0 -55.42 10.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.559 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 5.2 t80 -71.53 -26.99 62.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.8 t -65.81 -41.43 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 24' ' ' LEU . 61.0 t -72.35 -52.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.037 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.69 -45.93 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 12.8 t70 -60.83 -40.93 94.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -60.81 -62.1 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 2.9 mt -51.73 -33.71 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . . . -81.62 -24.99 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -93.12 -0.62 56.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -117.99 -40.96 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.354 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.973 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -81.37 -15.36 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.89 1.57 79.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.546 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -29.82 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.62 37.89 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.795 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -58.83 -153.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 -162.1 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.64 146.34 13.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ALA . 3.0 t-80 -132.91 171.84 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.48 -166.7 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 37.75 -144.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.433 ' CB ' HD21 ' A' ' 79' ' ' LEU . 60.3 m -70.24 51.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -126.63 -62.17 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.59 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.679 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 2.0 mt-10 -67.26 139.87 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.795 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -151.15 135.68 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.699 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -142.43 124.48 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 124.86 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.84 93.65 0.62 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.4 OUTLIER -114.08 109.16 18.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 165.45 -177.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 61.13 23.34 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 65.46 31.02 78.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -167.92 159.51 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.698 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m -107.13 162.63 13.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.945 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.99 127.49 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.386 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 7' ' ' VAL . 4.6 t -98.35 111.51 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.037 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.1 tm? -102.5 110.79 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -140.01 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.559 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.15 129.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.677 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.5 Cg_endo -74.92 -156.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.6 mmt180 -86.52 -83.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.602 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.84 -19.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.754 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.0 m-85 60.01 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.486 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -38.06 -79.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.98 -35.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.602 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -58.98 -38.83 80.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.754 ' N ' ' O ' ' A' ' 68' ' ' TYR . 24.3 t -73.06 -51.65 17.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.607 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -47.54 -50.12 19.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.57 -47.58 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.591 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -45.29 -50.61 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 80' ' ' ALA . 50.9 mt -68.09 -45.25 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.61 -69.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.424 1.75 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -53.78 -40.16 66.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.819 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.2 -49.85 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -14.71 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.719 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.5 t80 -77.48 -42.23 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -79.15 -15.42 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.5 p 46.1 42.98 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.588 HG22 ' H ' ' A' ' 86' ' ' ALA . 1.5 p -110.12 -179.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.588 ' H ' HG22 ' A' ' 85' ' ' VAL . . . -75.86 120.63 82.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.759 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.4 Cg_endo -74.97 2.95 6.04 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.3 -1.11 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.701 ' O ' ' N ' ' A' ' 6' ' ' LEU . 13.9 p30 -109.0 -13.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.837 HG12 HD13 ' A' ' 6' ' ' LEU . 8.5 mt -86.71 128.54 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.903 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -137.93 137.25 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 12.2 p -114.93 132.18 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.997 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -108.3 145.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.962 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.8 OUTLIER -152.53 -176.91 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -106.15 146.28 30.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.2 t70 -151.6 160.84 43.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.943 HD22 ' CG2' ' A' ' 150' ' ' VAL . 1.2 pt? -105.05 108.31 19.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.99 -81.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.546 HD13 ' NH2' ' A' ' 103' ' ' ARG . 7.5 mp -117.77 -101.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 138' ' ' GLY . 8.8 mp0 -88.23 175.92 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.599 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 1.1 m-85 -91.47 81.58 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.2 38.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.5 tmm_? -136.73 158.83 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.904 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.5 pp -119.7 152.03 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -138.57 100.27 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -107.02 149.47 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 1.6 mtmt -155.94 -172.07 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.711 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.6 tp -124.61 -85.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.711 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -68.83 -114.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 111' ' ' GLY . . . 37.3 94.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 110' ' ' GLY . . . -33.79 146.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 118' ' ' LEU . 1.8 pp20? -38.41 146.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.06 -53.94 20.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.92 50.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.417 ' HB2' HD12 ' A' ' 118' ' ' LEU . 11.9 m-70 -129.89 138.99 51.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 0.775 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 120' ' ' SER . 97.9 m-20 -63.41 -26.39 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 69' ' ' MET . . . -61.37 -65.12 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.16 -48.45 80.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.417 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -58.05 -38.22 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 19.7 m -69.75 -30.09 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.676 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -67.41 -45.95 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 14.8 t -73.18 -26.04 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.57 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -78.23 -45.61 22.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.819 HD21 ' CB ' ' A' ' 80' ' ' ALA . 13.4 mt -78.94 -22.29 45.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 73.31 9.17 76.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER 82.6 159.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 8.7 mmtt 159.0 -11.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 2.2 p30 151.26 -106.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.722 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 13.8 m-85 62.65 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.679 ' CG ' HD13 ' A' ' 108' ' ' ILE . 41.8 mt-30 -113.06 159.23 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 131' ' ' GLN . 5.1 mmt180 -134.38 148.05 50.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.997 ' HB ' HG22 ' A' ' 93' ' ' ILE . 4.2 t -136.51 83.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.1 mtt180 -88.89 161.11 16.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.962 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.3 mp -112.07 154.3 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -106.44 94.92 0.99 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.649 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.48 99.17 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.506 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.14 99.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.427 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 8.2 t80 -77.07 -21.1 54.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.943 ' CG2' HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -74.77 -36.72 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.219 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.55 HD13 ' HE1' ' A' ' 17' ' ' TYR . 1.3 mt -116.5 52.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -63.9 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.557 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.2 t30 163.18 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.602 1.189 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.762 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -72.99 29.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.579 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.08 -52.75 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.706 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.99 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.762 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.52 -40.24 18.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.612 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -74.45 -31.94 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.32 -42.46 91.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.703 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.24 -34.76 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.391 1.057 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.637 ' O ' HG22 ' A' ' 165' ' ' ILE . 57.7 mm-40 -75.19 -35.98 61.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -55.26 -52.39 71.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -25.69 11.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.562 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.8 m -59.62 -58.45 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -74.69 -45.24 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.998 ' N ' HD13 ' A' ' 165' ' ' ILE . 16.5 m -47.65 -46.71 29.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.75 -44.53 77.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -63.25 -47.42 82.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.828 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.2 -40.96 90.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.81 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 61.0 m-20 -68.24 -45.01 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.024 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -57.54 -43.32 84.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.22 -52.56 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.59 -45.59 85.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.491 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.31 -36.68 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.0 tt -54.65 -52.06 63.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 56' ' ' ALA . 36.6 mt -73.47 -23.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -41.63 84.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.63 -71.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -158.96 175.7 35.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.408 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 21.5 ttt -89.59 -20.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.3 mt-10 -46.71 -47.99 50.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -40.13 96.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -72.6 -39.23 67.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.745 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 13.5 m-20 -79.43 -19.79 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 183' ' ' PRO . 4.9 ttt180 -97.72 -52.84 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.024 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 18.1 t -87.91 -57.96 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.614 ' HA ' ' CZ3' ' A' ' 191' ' ' TRP . 9.6 t-80 -68.96 23.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -137.84 60.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.614 ' CZ3' ' HA ' ' A' ' 189' ' ' HIS . 20.3 m-90 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.12 160.33 39.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.6 mt -135.81 144.41 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -112.18 139.51 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.686 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -121.9 140.83 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.867 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.15 121.69 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.436 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -96.09 110.14 3.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.49 108.52 20.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.538 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -130.43 -141.61 4.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.069 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.731 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 23.5 t-20 -138.99 129.38 14.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.641 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -75.13 -20.64 16.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.69 -144.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.688 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -158.12 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.3 m120 -37.67 -57.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.935 ' CE2' HD22 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -84.48 -18.34 36.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.731 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -72.06 -29.24 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.5 tpt85 -62.91 -58.13 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 81.8 p -28.91 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.705 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 142.73 3.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.4 t-160 -67.23 9.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' VAL . 63.5 t30 -130.12 34.77 4.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.705 HD23 ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -61.46 -48.12 82.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.668 ' HA2' HD12 ' A' ' 93' ' ' ILE . . . -51.23 -54.43 23.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CB ' ' OD1' ' A' ' 23' ' ' ASN . 0.7 OUTLIER -73.38 -26.44 61.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.753 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.9 t -72.9 -40.56 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -75.64 -50.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -56.76 -36.38 69.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.7 m-20 -68.2 -51.52 44.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.524 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -45.97 -56.35 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.23 -179.945 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.77 -47.02 77.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.307 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -67.73 -18.69 64.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.63 -31.95 36.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -43.34 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -19.49 53.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 93.88 -40.59 2.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 60.32 145.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.81 17.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 1.09 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -77.12 -148.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -165.11 -165.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -152.31 114.82 4.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER 178.55 -85.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER 59.86 -163.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 -37.4 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.487 ' HB3' HD21 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -76.01 -9.1 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 69.96 86.76 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 65' ' ' PRO . . . -172.92 179.31 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 0.803 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.62 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.2 tp10 -84.47 148.42 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.67 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 17.5 m -148.0 135.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.09 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -144.33 125.2 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 126.55 41.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 110.462 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.05 130.65 5.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 98.27 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 57' ' ' GLY . 15.2 m -166.86 -168.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 51.15 21.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.91 44.39 68.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.5 ' HG2' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 177.26 155.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.48 176.14 10.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.7 pp -175.93 103.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.481 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 23.0 t -102.02 110.48 28.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.879 HD11 ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -98.71 122.85 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.701 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -142.34 165.98 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.879 ' HE3' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 174.6 123.03 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.757 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.94 -155.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.641 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 1.1 mpt_? -79.94 -84.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.92 -20.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.757 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 34.8 m-85 60.64 -82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.57 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.093 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.639 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 2.2 m-80 -71.97 -43.23 65.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -52.56 -38.87 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.0 t -70.48 -52.36 22.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.866 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.72 -51.26 3.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.909 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.97 -55.99 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 0.751 . . . . 0.0 110.368 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.594 ' HB2' ' HG3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -43.58 -47.55 7.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.961 ' CG2' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -67.65 -45.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.72 -66.57 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.909 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -75.05 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 46' ' ' SER . 4.7 mt -53.95 -41.13 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.883 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.16 -50.1 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -17.88 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.2 t80 -73.41 -45.17 56.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.506 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.6 m-85 -82.39 -12.7 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 t 57.22 55.97 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.506 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.0 OUTLIER -106.35 163.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.47 160.69 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.599 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -33.41 4.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.8 0.89 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 5' ' ' LEU . 70.6 m-20 -109.5 -23.51 11.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.34 133.06 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.686 HG12 HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -136.54 119.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.867 HG22 ' CG2' ' A' ' 8' ' ' VAL . 43.7 t -104.47 123.78 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.806 ' C ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -103.72 144.92 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.968 ' O ' HD12 ' A' ' 135' ' ' ILE . 2.0 t60 -151.36 -177.55 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.674 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.461 ' H ' ' CG ' ' A' ' 94' ' ' HIS . 1.4 p-10 -102.88 140.28 37.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.3 t70 -151.13 163.88 37.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.738 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.2 pt? -103.58 120.31 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.595 ' C ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -123.78 -71.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.595 HD22 ' C ' ' A' ' 98' ' ' ASP . 4.6 mm? -125.07 -106.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -90.55 174.56 7.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.578 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 63.6 m-85 -90.12 93.75 9.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.498 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 148.39 40.93 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.691 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -140.26 157.64 45.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.519 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.0 OUTLIER -117.14 165.5 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -147.29 107.64 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.814 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.21 131.86 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.29 174.99 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.646 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -132.24 -87.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.646 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -49.22 -51.34 26.24 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.13 76.68 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -139.72 -168.92 11.47 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 48.47 63.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.89 49.22 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.93 58.26 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -114.54 134.14 55.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -59.79 -52.93 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.69 -63.27 5.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.736 ' O ' HG12 ' A' ' 121' ' ' VAL . 10.8 mt -49.3 -42.88 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.466 ' O ' HG12 ' A' ' 122' ' ' VAL . 8.7 ttp180 -64.06 -32.82 74.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 13.2 t -72.47 -28.42 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.866 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.03 -42.54 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -63.87 -47.95 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.0 -36.11 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.84 -45.57 70.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.961 HD11 ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -78.04 -24.18 47.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.48 2.5 55.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -107.75 -158.62 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER 176.4 62.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.928 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.548 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 1.3 m-20 -148.04 15.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.705 ' CE2' HD22 ' A' ' 125' ' ' LEU . 10.0 m-85 -85.75 162.75 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.541 ' CB ' HD13 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -107.24 164.96 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.426 1.079 . . . . 0.0 110.362 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 14.9 mtt-85 -144.3 149.4 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 106' ' ' LEU . 2.5 t -121.76 89.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.3 mtp85 -85.47 145.62 27.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.968 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.8 mt -97.7 151.12 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.26 97.77 1.45 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.71 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -108.65 102.43 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.49 -38.66 78.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -76.02 -25.92 56.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.71 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -74.65 -29.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.935 HD22 ' CE2' ' A' ' 17' ' ' TYR . 2.3 mt -106.18 45.38 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.57 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.5 mm-40 -64.07 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.592 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 5.5 t-20 150.65 46.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.807 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -70.87 31.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -10.42 -55.66 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.906 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.797 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.1 -83.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.807 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -40.88 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.623 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -78.54 -43.98 25.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.022 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.52 -30.36 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.67 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.1 -41.07 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.904 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.9 mm-40 -78.18 -35.93 48.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.512 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 1.1 t -49.02 -51.74 53.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.022 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -36.15 2.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.535 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.2 m -52.0 -50.46 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.904 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -80.79 -49.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.887 ' N ' HD13 ' A' ' 165' ' ' ILE . 17.2 m -44.21 -50.99 8.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.65 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 3.8 mm-40 -67.13 -49.07 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.57 -48.45 81.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 165' ' ' ILE . . . -71.91 -30.6 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -57.38 -47.73 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.8 m-20 -69.58 -45.5 68.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.742 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -61.45 -36.53 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 169' ' ' ALA . 2.2 m -64.88 -51.69 60.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.651 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.97 -34.57 68.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.651 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 tp -72.57 -44.99 61.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.8 tt -50.68 -43.95 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.67 -23.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 5.5 tm-20 -57.2 -49.23 76.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.413 1.071 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -140.52 -71.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -144.68 170.84 26.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.52 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 16.9 ptp -89.65 -12.09 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -44.03 -49.68 21.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.929 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -74.96 -36.74 2.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.2 tt0 -68.71 -37.77 79.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.995 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 11.4 m-20 -82.29 -23.92 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.32 -57.29 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.742 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -70.26 -49.66 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.563 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.51 17.07 1.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.995 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -75.64 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.503 ' CZ3' ' O ' ' A' ' 187' ' ' ARG . 39.9 p90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.05 176.84 9.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.551 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 4.2 mt -140.39 134.59 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -133.18 136.71 45.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.622 HG13 HG12 ' A' ' 91' ' ' ILE . 34.1 t -129.33 145.93 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.731 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -140.07 116.95 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.69 114.5 4.84 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.152 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.697 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -107.2 108.89 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.54 -139.6 6.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -133.68 118.12 14.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.97 -7.33 19.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -62.84 -112.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 164.44 -82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -46.14 -40.88 11.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CE1' HD22 ' A' ' 151' ' ' LEU . 1.3 t80 -84.61 -22.89 29.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.83 -28.71 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 21' ' ' ARG . 18.8 mmt85 -45.36 -28.86 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -75.14 20.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.603 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.0 mmp_? 70.43 14.02 7.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 9.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.642 ' O ' HG23 ' A' ' 27' ' ' VAL . 65.8 t30 -125.94 29.41 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.851 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -54.19 -46.58 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.58 -61.65 4.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CD2' ' OH ' ' A' ' 68' ' ' TYR . 1.9 t80 -72.83 -23.03 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 23' ' ' ASN . 5.1 t -73.71 -39.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 24' ' ' LEU . 1.2 t -71.54 -51.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.647 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -54.1 -47.34 71.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.2 m-20 -59.39 -45.93 90.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.05 -60.56 3.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 3.2 mt -56.89 -25.68 57.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -84.71 -21.18 30.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.7 -28.8 33.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -90.16 -42.82 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.07 18.37 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 68.19 -55.07 0.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.59 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 74.15 145.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -163.84 36.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 109.38 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 1.01 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.01 -150.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -164.6 -163.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.85 144.81 46.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -100.65 108.42 20.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.78 47.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -39.21 -61.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.931 ' CB ' HD11 ' A' ' 79' ' ' LEU . 78.1 p -78.77 -25.26 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 72.36 76.49 0.62 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.703 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 175.51 178.59 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.753 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.72 147.8 26.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 8.4 m -141.75 129.41 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 1.01 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -145.81 110.12 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -98.92 163.5 12.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.37 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -149.21 -165.0 11.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.71 131.01 6.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.3 OUTLIER 174.44 -174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.829 ' HB1' HG22 ' A' ' 177' ' ' ILE . . . 44.67 26.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.0 50.71 56.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 173.3 154.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 0.762 . . . . 0.0 110.345 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -77.82 164.09 25.5 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -141.81 129.27 21.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.466 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.5 t -107.77 108.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.647 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -107.82 110.22 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.97 172.92 7.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER -177.12 115.87 0.26 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.703 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -74.97 -155.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.6 mmt180 -84.88 -85.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -47.15 -19.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 108.322 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.733 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.0 m-85 61.42 -80.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.679 ' N ' HD13 ' A' ' 10' ' ' LEU . 3.9 ttt -37.7 -84.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -69.2 -38.05 78.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -56.44 -37.78 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.8 t -71.5 -56.67 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.865 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -41.47 -52.58 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.57 -47.1 28.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.587 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.5 tp60 -43.99 -50.86 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 110.237 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.735 HG22 HD21 ' A' ' 125' ' ' LEU . 7.9 mt -68.34 -48.31 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.38 -66.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.01 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.931 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.44 -40.97 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.46 -50.11 54.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -16.8 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.751 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -82.55 -12.87 57.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.8 t 51.54 46.25 26.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.959 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.562 HG22 ' H ' ' A' ' 86' ' ' ALA . 9.8 p -113.96 172.05 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.653 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -80.45 123.6 82.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 1.033 ' O ' HG22 ' A' ' 90' ' ' ILE . 18.2 Cg_endo -75.01 3.24 5.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB2' ' CB ' ' A' ' 129' ' ' ASP . . . -71.1 -14.54 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.714 ' O ' ' N ' ' A' ' 6' ' ' LEU . 2.0 p30 -99.6 -4.17 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.913 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 1.033 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.2 tt -86.81 134.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.622 HG12 HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.72 116.94 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.731 HG22 ' CG2' ' A' ' 8' ' ' VAL . 46.7 t -99.72 123.17 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.662 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -111.95 143.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.791 ' O ' HD12 ' A' ' 135' ' ' ILE . 2.1 t60 -161.96 166.28 26.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.547 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.614 ' OD1' HD13 ' A' ' 137' ' ' ILE . 6.9 t0 -94.07 145.13 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -138.19 168.07 20.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.816 ' HB3' HG21 ' A' ' 150' ' ' VAL . 1.1 pt? -96.13 83.5 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -132.05 -47.68 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.737 HD23 ' CD1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -136.4 95.97 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 138' ' ' GLY . 48.7 tt0 -75.25 35.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.737 ' CD1' HD23 ' A' ' 99' ' ' LEU . 6.3 m-85 -100.63 -40.98 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.725 ' O ' HG21 ' A' ' 165' ' ' ILE . . . 124.42 37.68 0.55 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.729 ' O ' HG23 ' A' ' 135' ' ' ILE . 15.0 mmt-85 -103.04 -179.38 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.249 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.792 HD13 ' HB1' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -122.41 166.69 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.3 OUTLIER -146.79 109.07 4.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.912 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.82 132.17 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.45 ' N ' HD22 ' A' ' 106' ' ' LEU . 0.7 OUTLIER -146.31 166.41 26.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.645 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -127.94 -87.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.645 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -64.03 -35.29 91.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.431 ' C ' ' NH1' ' A' ' 132' ' ' ARG . . . -86.93 143.93 19.2 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.95 -173.02 18.96 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 70.11 73.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -116.36 -101.23 2.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.48 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -89.17 71.81 2.3 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 29.6 m80 -155.76 111.68 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' SER . 1.8 t30 -62.95 -43.12 99.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.451 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -54.57 -61.9 6.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.702 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.9 mt -53.01 -51.11 62.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.531 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.7 mtp180 -59.11 -31.64 69.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 31.1 t -73.45 -28.31 61.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.865 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.89 -43.35 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.792 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.52 -45.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.98 -36.9 75.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -71.62 -38.88 70.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.735 HD21 HG22 ' A' ' 76' ' ' ILE . 1.6 mt -82.6 -22.4 34.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.86 7.69 75.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 72.76 127.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -178.13 36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 1.3 m-20 87.79 125.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.792 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 22.1 p90 -178.9 158.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.475 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -129.03 167.44 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 110.237 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.72 150.93 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.345 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 41.7 t -126.51 89.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 19.8 mtp180 -86.38 144.2 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.2 mp -104.86 149.6 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.993 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -94.13 118.52 5.78 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 136' ' ' GLY . 1.0 OUTLIER -145.35 23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.38 0.694 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.558 ' HA3' ' CA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.52 90.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.92 -25.99 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.816 HG21 ' HB3' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -77.88 -33.31 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.588 HD22 ' CE1' ' A' ' 17' ' ' TYR . 85.5 mt -79.36 50.44 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.692 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -81.75 -99.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.692 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.6 t30 138.69 49.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.843 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -69.32 27.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.615 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.46 -52.11 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.72 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.843 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -41.71 14.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.9 mt-10 -73.26 -32.29 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.02 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -59.93 -42.57 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.673 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.67 -36.65 60.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.951 ' O ' HG22 ' A' ' 165' ' ' ILE . 12.8 mm-40 -75.99 -37.56 58.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -50.69 -52.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.02 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -29.62 7.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.3 m -60.43 -56.68 18.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.431 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.951 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -73.08 -51.68 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.815 ' N ' HD13 ' A' ' 165' ' ' ILE . 21.8 m -41.05 -48.66 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.357 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.21 -48.57 70.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.521 ' HB3' ' CE2' ' A' ' 191' ' ' TRP . 0.9 OUTLIER -64.71 -43.52 93.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.792 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -71.92 -35.35 69.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -56.08 -49.01 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.0 OUTLIER -69.87 -38.62 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.991 ' HB1' HG22 ' A' ' 188' ' ' VAL . . . -65.56 -37.25 86.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.9 m -65.09 -51.01 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.7 pt-20 -55.35 -43.01 74.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.49 -38.91 92.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.4 tt -54.74 -49.05 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.829 HG22 ' HB1' ' A' ' 56' ' ' ALA . 8.4 mt -79.09 -17.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 5.8 tm-20 -70.31 -33.55 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -132.64 -72.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -174.31 -152.13 8.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.596 1.185 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 185' ' ' GLN . 3.3 ptt? -95.35 -34.81 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -44.58 -51.94 19.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.945 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.14 -36.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.838 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.27 -43.15 82.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -66.9 -37.03 83.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.989 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.6 t30 -81.27 -22.66 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.664 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 3.7 ttt180 -102.88 -58.46 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.991 HG22 ' HB1' ' A' ' 172' ' ' ALA . 14.7 t -62.16 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.57 6.49 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.553 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.989 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -85.22 -71.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.662 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.046 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 8.7 pt-20 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 17.9 Cg_endo -75.04 167.88 26.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -135.64 141.2 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.734 HD22 ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.726 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -122.78 141.0 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.676 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.13 124.11 45.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.85 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.843 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.62 100.48 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.86 -159.33 22.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.609 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 3.8 m-80 -134.52 111.18 11.53 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 9.92 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.591 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . -54.22 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.92 -129.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.41 -33.75 68.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.677 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -68.39 -29.32 67.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.609 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -75.87 -38.24 58.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.582 ' O ' ' C ' ' A' ' 20' ' ' THR . 5.7 tpt180 -57.82 -45.83 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.684 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 51.5 p -22.48 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.768 HH21 HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER 161.97 -11.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.72 2.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.66 ' O ' HG23 ' A' ' 27' ' ' VAL . 60.2 t30 -112.31 36.17 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.785 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -61.52 -62.44 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.685 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -33.99 -62.01 0.48 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CG ' ' OH ' ' A' ' 68' ' ' TYR . 2.7 t80 -66.94 -35.4 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.768 HG21 HH21 ' A' ' 21' ' ' ARG . 2.5 t -62.22 -41.94 93.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.2 t -69.98 -51.39 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.916 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.41 -47.38 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 6.1 t70 -67.04 -30.2 70.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.497 HD22 ' SG ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -64.31 -60.37 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.911 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 4.2 mt -53.63 -50.35 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -52.52 -36.05 54.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -44.54 11.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.12 -168.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.911 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -90.87 -13.91 58.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 52.86 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.71 67.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.873 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -145.28 -151.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.979 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 1.3 mtmt -151.44 -166.44 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.576 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -161.32 108.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER 179.02 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.506 ' HG3' HG11 ' A' ' 50' ' ' VAL . 17.0 mmmt 58.89 -172.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -31.69 49.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.216 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.6 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -71.93 -39.75 69.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 97.02 56.03 1.16 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.518 1.137 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.598 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -143.22 -179.36 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 mm-40 -83.69 146.88 27.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.7 m -144.02 107.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.873 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -115.55 109.64 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.01 150.67 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.12 134.12 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -141.03 98.47 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -162.33 -163.27 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.71 27.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.69 47.6 87.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER 177.15 152.85 0.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 110.347 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.09 178.49 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.2 pp -175.95 122.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 6' ' ' LEU . 8.1 t -106.13 114.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.916 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -104.45 126.01 51.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.565 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -142.64 165.61 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -176.03 121.23 0.31 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.648 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.06 -157.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.606 1.845 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.501 ' C ' ' N ' ' A' ' 68' ' ' TYR . 21.8 mmt180 -81.96 -83.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.87 -19.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.735 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.663 ' CA ' HD13 ' A' ' 10' ' ' LEU . 8.2 ttt -34.35 -93.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.32 -37.39 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.547 ' OE2' ' CZ ' ' A' ' 74' ' ' ARG . 2.6 mm-40 -56.48 -31.07 63.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.735 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.9 t -78.05 -56.25 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.923 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.55 -52.82 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.969 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.67 -44.55 49.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 0.728 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.3 tm0? -46.67 -50.51 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.791 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.9 mt -67.38 -46.56 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.401 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.11 -68.1 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.969 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -74.94 -45.82 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.3 OUTLIER -54.96 -39.47 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.51 -50.21 59.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -16.0 60.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.676 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -81.98 -37.61 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.664 ' HB3' HG23 ' A' ' 85' ' ' VAL . 2.7 m-85 -80.2 -10.79 59.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.49 12.01 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 83' ' ' TYR . 23.6 t -93.46 150.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -83.87 165.16 40.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.554 ' HA ' HG22 ' A' ' 90' ' ' ILE . 18.2 Cg_endo -74.91 -18.04 19.29 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.582 1.833 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.16 -9.26 15.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 6' ' ' LEU . 69.3 m-20 -110.61 -20.39 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.734 ' CD1' HD22 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -87.47 138.72 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.726 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -138.45 123.03 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.676 HG22 ' CG2' ' A' ' 8' ' ' VAL . 58.7 t -103.96 137.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.946 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -117.06 146.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 1.0 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.3 t60 -151.5 164.98 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.69 ' CG ' HD23 ' A' ' 24' ' ' LEU . 4.1 t0 -99.65 140.82 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.9 t0 -155.09 152.35 29.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.653 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -82.13 129.65 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.4 -79.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.52 -69.99 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.16 164.44 13.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 110.238 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -93.48 22.37 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -154.98 54.61 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.8 tmm_? -134.11 156.72 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.798 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.9 pp -123.76 159.51 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -143.79 112.93 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.798 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.7 139.3 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 172.13 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.714 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.6 OUTLIER -98.69 -93.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.714 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -105.28 40.73 2.37 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -37.53 -87.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.72 149.64 5.38 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.482 ' OE1' HG11 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -76.12 74.95 2.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 0.808 . . . . 0.0 110.253 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.12 -83.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.555 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -139.09 80.42 0.28 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 88.5 m-70 -163.59 112.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.476 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 2.0 m-20 -54.45 -33.06 58.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.78 -67.32 2.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.698 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.2 mt -48.18 -42.15 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.537 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.68 -31.7 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 110.372 179.933 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 5.5 t -74.97 -28.16 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.923 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.07 -43.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.846 HG23 ' CE2' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -66.71 -46.17 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.455 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.13 -37.55 78.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -67.55 -45.38 75.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.673 HD11 HG21 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -78.85 -20.6 49.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.36 2.19 87.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 74.45 130.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.6 mmtt -179.47 32.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.7 m-20 81.88 98.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.846 ' CE2' HG23 ' A' ' 122' ' ' VAL . 6.3 p90 -127.05 160.8 30.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.474 ' HB2' HG22 ' A' ' 91' ' ' ILE . 78.5 mt-30 -108.18 155.3 20.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 3.5 tpp180 -140.63 163.48 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.946 ' HB ' HG22 ' A' ' 93' ' ' ILE . 24.3 t -153.17 85.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -89.38 141.91 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.0 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.5 mp -96.35 147.35 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.8 103.64 2.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.727 HD12 HG22 ' A' ' 150' ' ' VAL . 1.8 pp -121.67 81.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.998 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.46 82.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -75.21 -29.76 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.727 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -63.91 -41.46 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 17' ' ' TYR . 1.1 mt -93.89 39.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 4.6 tt0 -75.75 -101.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.638 ' C ' ' H ' ' A' ' 155' ' ' THR . 7.9 t-20 162.99 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.854 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -67.15 30.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.638 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -23.68 -48.95 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.806 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.98 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.768 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.799 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -75.22 -26.83 59.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.854 ' N ' ' O ' ' A' ' 154' ' ' PHE . 19.9 mt-10 -81.04 -40.23 24.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -66.47 -34.95 79.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 0.0 110.276 -179.935 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.672 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.39 -38.93 48.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 165' ' ' ILE . 5.1 mm-40 -77.87 -34.78 51.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.522 ' O ' ' SG ' ' A' ' 166' ' ' CYS . 1.5 t -52.64 -51.88 69.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.07 -30.69 6.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.555 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 4.2 m -55.11 -55.05 35.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.702 HD11 ' CG2' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -78.08 -48.45 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.693 ' N ' HD13 ' A' ' 165' ' ' ILE . 54.1 m -49.31 -47.52 46.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -65.58 -46.13 80.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 164' ' ' THR . 5.7 tm0? -65.32 -44.96 86.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.922 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.798 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.73 -34.54 67.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -57.31 -49.08 77.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 15.4 m-20 -68.94 -40.73 78.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.84 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.41 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 169' ' ' ALA . 7.2 m -63.48 -51.32 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -59.34 -43.68 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -68.63 -36.19 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.8 tt -55.2 -50.74 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -76.91 -21.81 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.85 -58.88 6.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -119.13 -73.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -154.79 -171.75 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 185' ' ' GLN . 7.7 ptp -88.71 -18.62 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -46.65 -48.44 49.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.667 ' HB2' HD23 ' A' ' 175' ' ' LEU . 18.4 Cg_endo -74.92 -37.75 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.456 1.766 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.658 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.46 -36.87 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.627 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.2 tt0 -71.16 -39.98 71.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 1.054 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.4 t-20 -82.63 -21.93 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.17 -55.14 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.912 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.84 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -76.21 -57.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.627 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -65.37 -6.51 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.676 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 1.054 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.67 97.35 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.409 ' CH2' HG22 ' A' ' 164' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.02 152.21 40.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -132.3 140.1 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.1 tt -107.57 143.6 35.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 HG12 ' A' ' 91' ' ' ILE . 2.0 t -126.34 139.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.693 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.14 120.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.19 106.68 3.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -92.47 98.63 11.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -123.37 -141.16 5.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.599 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 4.7 m-20 -140.28 130.73 13.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.506 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 139.35 24.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.34 113.89 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -42.82 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 44.38 -140.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.578 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 2.0 t80 -64.81 -17.21 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -72.56 -42.01 65.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.524 ' O ' ' C ' ' A' ' 20' ' ' THR . 8.7 tpt85 -37.76 -48.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 152' ' ' GLU . 30.6 p -28.61 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.636 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 166.68 -15.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' ' HD3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -54.21 -3.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.513 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 27' ' ' VAL . 59.8 t30 -120.69 44.01 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.969 HD12 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -62.2 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -34.16 -64.78 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ASP . 1.3 t80 -63.36 -34.87 78.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.8 t -58.01 -41.13 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.765 HG12 HD12 ' A' ' 32' ' ' LEU . 86.4 t -77.38 -51.07 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -56.89 -34.46 67.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 6.4 m-20 -69.7 -54.24 14.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -56.95 -53.87 53.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.765 HD12 HG12 ' A' ' 28' ' ' VAL . 7.1 mt -57.15 -51.66 68.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -62.06 -24.52 67.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.27 -30.95 58.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -44.18 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -39.92 92.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.39 -8.6 79.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.31 141.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.872 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 64.3 m-85 -60.1 156.84 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 1.6 mttp -118.32 175.4 5.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 43' ' ' HIS . . . -126.68 153.56 45.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER 71.55 -85.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.577 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.14 52.8 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 71.66 -70.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.611 ' CB ' HD11 ' A' ' 79' ' ' LEU . 2.1 p -39.51 -44.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 43' ' ' HIS . . . 100.01 49.89 1.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -171.72 -176.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 3.7 tp10 -84.38 149.35 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.257 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 63' ' ' ALA . 8.2 p -170.41 157.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -171.76 124.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.29 151.25 46.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.404 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -140.6 133.39 5.91 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -140.48 105.42 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.414 0.714 . . . . 0.0 110.343 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.44 -173.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.07 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.07 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.41 58.82 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.489 ' HB3' ' CG2' ' A' ' 177' ' ' ILE . 0.6 OUTLIER -178.65 157.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.606 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -79.0 179.01 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 176.87 116.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.9 t -108.92 116.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 ' HB ' ' A' ' 7' ' ' VAL . 3.4 mm? -102.75 127.4 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.525 ' HB2' HG23 ' A' ' 50' ' ' VAL . . . -144.23 168.96 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 178.19 122.92 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.781 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.0 -154.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.5 mmt-85 -87.25 -88.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.61 -23.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 108.269 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.4 m-85 63.38 -79.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.879 ' HA ' HD13 ' A' ' 10' ' ' LEU . 12.0 ttm -29.28 -99.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.58 -32.31 73.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.573 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 1.7 mt-10 -60.4 -38.64 84.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.882 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.0 t -71.85 -47.05 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -50.4 -49.14 39.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 1.079 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.85 -38.15 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.572 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 3.3 mm-40 -60.26 -44.98 94.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.693 HG12 HG11 ' A' ' 8' ' ' VAL . 57.9 mt -69.18 -51.13 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.6 -61.9 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 1.079 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.03 -40.56 67.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.96 -50.95 60.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -74.45 -16.9 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' VAL . 6.3 m-85 -78.18 0.39 25.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p 51.33 46.21 26.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.382 1.051 . . . . 0.0 110.064 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' TYR . 53.2 t -119.05 165.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.474 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -82.75 155.78 68.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HG3' ' HB3' ' A' ' 128' ' ' LYS . 18.1 Cg_endo -75.03 -19.35 17.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.51 -5.14 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.61 ' O ' ' N ' ' A' ' 6' ' ' LEU . 73.3 m-20 -106.63 -18.64 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 131' ' ' GLN . 40.7 mt -88.75 137.42 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.939 HG12 HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 117.63 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.8 p -102.72 124.81 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -102.91 146.8 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.641 ' CD2' HD21 ' A' ' 10' ' ' LEU . 1.3 t60 -158.93 -171.88 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.545 ' HB2' ' CD1' ' A' ' 137' ' ' ILE . 1.2 p-10 -85.65 138.53 32.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.659 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.3 t0 -121.18 116.39 24.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.508 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -79.61 49.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.57 -71.81 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.674 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 5.5 tp -132.97 -132.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER -88.61 165.66 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.731 ' HZ ' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -74.82 131.96 41.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 134.24 8.15 2.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 135' ' ' ILE . 4.1 mmm-85 -134.47 166.33 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.985 HG23 HD11 ' A' ' 165' ' ' ILE . 1.1 pp -123.64 160.84 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.96 88.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 1.001 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -103.52 139.98 38.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.219 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.6 ' N ' HD22 ' A' ' 106' ' ' LEU . 1.3 mtmt -150.38 -171.95 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 130' ' ' PHE . 1.6 tp -129.13 -87.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.769 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -79.98 52.68 4.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.47 1.106 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -78.02 -110.01 0.18 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 174.13 118.81 0.52 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.736 ' CD ' HG21 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -45.77 -65.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.796 . . . . 0.0 110.302 -179.925 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.94 -107.15 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -110.17 68.87 0.21 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -142.53 118.51 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -70.68 -40.63 72.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -65.28 -60.78 6.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.102 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 122' ' ' VAL . 11.5 mt -53.68 -48.28 69.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.355 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -59.12 -34.72 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.403 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t -70.81 -30.74 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.503 HG22 ' HA2' ' A' ' 73' ' ' GLY . 2.6 t -70.75 -43.12 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.975 HG22 ' CE2' ' A' ' 130' ' ' PHE . 5.1 t -73.46 -27.89 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.22 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -75.78 -44.11 43.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 80' ' ' ALA . 19.2 mt -78.56 -21.42 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.96 8.17 82.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.579 1.174 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.502 ' OG1' ' CG1' ' A' ' 122' ' ' VAL . 0.5 OUTLIER 72.26 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 110.388 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.55 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -163.02 25.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.6 OUTLIER 80.36 101.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.975 ' CE2' HG22 ' A' ' 122' ' ' VAL . 5.7 p90 -133.87 176.67 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.527 ' CG ' HD13 ' A' ' 108' ' ' ILE . 84.1 mt-30 -111.56 154.46 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.49 HH12 ' N ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -144.26 149.35 36.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 1.001 HG22 ' HB2' ' A' ' 106' ' ' LEU . 23.0 t -133.34 87.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.7 mtp180 -95.43 127.16 41.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.969 HD13 HD12 ' A' ' 24' ' ' LEU . 4.9 mp -88.93 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . -84.71 89.67 1.6 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.573 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -115.0 102.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.674 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.48 67.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.32 -31.64 58.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.861 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -68.13 -37.25 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.861 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -99.21 43.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.793 ' O ' HG22 ' A' ' 20' ' ' THR . 2.1 tt0 -81.91 -97.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 110.385 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.619 ' C ' ' H ' ' A' ' 155' ' ' THR . 18.4 t30 164.66 48.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.861 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.7 ' CG ' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.98 28.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.619 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -28.11 -50.83 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.648 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.9 -62.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.7 ' HB3' ' CG ' ' A' ' 154' ' ' PHE . . . -50.39 -45.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.93 ' HG2' HG23 ' A' ' 162' ' ' VAL . 17.3 tt0 -71.76 -30.41 65.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.83 -43.92 90.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.731 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.14 -34.38 56.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.946 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.8 mm-40 -75.25 -37.76 60.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.93 HG23 ' HG2' ' A' ' 158' ' ' GLU . 1.2 t -53.3 -50.68 81.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -26.22 11.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.558 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 8.2 m -65.89 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.985 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -67.01 -53.18 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.836 ' N ' HD13 ' A' ' 165' ' ' ILE . 46.7 t -46.1 -48.05 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.8 tt0 -57.78 -46.74 84.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.652 ' O ' HG21 ' A' ' 188' ' ' VAL . 27.2 mm-40 -64.09 -47.79 78.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.965 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.64 -38.87 80.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.93 -43.07 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 37.0 m-20 -67.05 -46.27 74.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.692 ' HB2' ' CB ' ' A' ' 188' ' ' VAL . . . -58.21 -45.81 86.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.5 m -66.17 -50.49 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -57.84 -47.32 83.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.51 -39.48 88.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.1 tt -51.09 -51.33 54.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.489 ' CG2' ' HB3' ' A' ' 58' ' ' ARG . 31.6 mt -75.04 -24.47 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.48 -43.15 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -71.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.5 172.39 32.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -16.4 27.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.4 mt-10 -51.95 -46.31 92.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.0 -38.3 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.422 1.748 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 172' ' ' ALA . . . -65.31 -39.79 92.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.561 ' HA ' ' CB ' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.14 -38.47 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.747 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -81.67 -18.78 43.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.2 ttt180 -95.72 -54.4 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.692 ' CB ' ' HB2' ' A' ' 172' ' ' ALA . 50.1 t -90.04 -58.01 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 185' ' ' GLN . 22.4 t-80 -68.13 22.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.93 -41.47 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.46 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -125.18 166.31 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.226 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 7' ' ' VAL . 1.5 tt -117.41 144.6 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.82 ' HB ' HD22 ' A' ' 62' ' ' LEU . 23.7 t -127.88 143.46 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.523 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.31 124.72 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.403 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -103.76 111.44 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.827 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -90.76 104.48 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.47 -148.19 10.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 1.03 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 3.5 t-20 -135.46 118.8 12.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -12.1 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.628 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -59.1 -116.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 166.82 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -47.98 -35.83 11.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -20.24 20.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 1.03 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -71.43 -32.34 68.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 21' ' ' ARG . 2.1 mpt_? -50.37 -36.26 31.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.637 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 34.8 p -61.92 -2.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.49 179.911 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.637 ' CB ' ' O ' ' A' ' 20' ' ' THR . 1.6 tpp180 95.96 11.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.469 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -67.58 9.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.577 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.65 ' O ' HG23 ' A' ' 27' ' ' VAL . 64.4 t30 -126.94 34.63 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.104 HD22 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.81 -43.79 94.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -50.81 -56.75 12.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.0 t80 -76.46 -25.34 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.4 t -71.23 -42.83 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.638 HG11 HD13 ' A' ' 93' ' ' ILE . 1.6 t -70.71 -51.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.04 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.1 m-20 -66.33 -48.26 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.65 -58.62 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -59.47 -29.36 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -77.48 -25.18 50.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.96 -27.07 36.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.61 1.194 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.02 -42.81 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -44.05 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.45 -8.04 80.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.82 146.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.97 85.23 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.914 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 58.6 m-85 -62.57 -173.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -155.31 -169.37 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -167.74 122.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -119.81 -174.61 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.07 -179.8 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 69.47 -72.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.539 ' O ' HD11 ' A' ' 79' ' ' LEU . 6.4 p -150.53 33.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -107.1 -57.83 0.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.89 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 47.2 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.373 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.34 137.7 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -174.37 166.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.914 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -171.52 126.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.41 150.69 25.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -139.93 129.77 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.587 1.179 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.26 99.03 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 57' ' ' GLY . 65.6 p -169.08 -160.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.928 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.79 27.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.14 48.56 78.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 172.13 154.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 0.716 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -79.92 177.06 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 173.96 123.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t -106.93 115.95 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.82 HD22 ' HB ' ' A' ' 7' ' ' VAL . 2.2 mm? -93.52 120.79 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . . . -127.99 167.02 17.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 178.66 115.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.89 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.98 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 68' ' ' TYR . 24.2 mmt85 -83.55 -84.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.658 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -46.39 -20.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.71 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.8 m-85 63.12 -78.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.675 ' HA ' HD13 ' A' ' 10' ' ' LEU . 1.5 ttp -38.6 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.596 ' HB2' ' HE1' ' A' ' 69' ' ' MET . 10.0 t-20 -60.92 -31.91 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.03 -47.1 86.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.71 ' N ' ' O ' ' A' ' 68' ' ' TYR . 43.9 t -64.24 -53.45 48.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.836 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.22 -52.14 7.22 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.18 -47.15 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 0.803 . . . . 0.0 110.264 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.694 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 2.4 mm-40 -48.91 -48.86 42.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.32 -47.95 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.514 ' HA3' ' HB1' ' A' ' 124' ' ' ALA . . . -28.92 -68.34 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.04 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.87 -40.14 66.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.46 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -15.97 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.672 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -76.32 -44.02 38.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.41 3.87 22.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.3 t 51.16 45.38 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.45 151.02 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 157.69 63.96 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.519 ' CG ' ' HB3' ' A' ' 128' ' ' LYS . 18.0 Cg_endo -74.96 -17.1 19.92 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.21 -8.65 33.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.847 ' O ' HD12 ' A' ' 5' ' ' LEU . 13.9 m-20 -114.65 -14.58 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 67.6 mt -89.15 121.9 39.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.755 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -125.34 119.16 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.5 p -101.37 121.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.006 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -100.81 142.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.911 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.6 t60 -157.44 -178.18 7.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.675 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.588 ' CB ' HD12 ' A' ' 24' ' ' LEU . 1.5 p30 -107.41 140.12 40.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 135' ' ' ILE . 11.7 t0 -145.76 152.74 40.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.624 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.7 OUTLIER -86.63 115.22 23.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.46 -83.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.528 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 2.8 mt -129.67 -81.73 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.1 mp0 -94.06 173.09 7.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -96.65 31.52 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.533 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -150.44 45.13 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -138.59 157.58 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.277 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.942 HG22 HG13 ' A' ' 135' ' ' ILE . 0.9 OUTLIER -123.31 159.55 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.617 ' C ' HD13 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -147.63 108.6 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.344 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 1.095 ' HB3' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -112.73 140.78 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 0.6 OUTLIER -144.12 -174.98 4.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.703 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.1 tp -119.35 -85.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.703 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -118.81 67.5 0.37 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.32 -97.39 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.634 ' N ' HH12 ' A' ' 132' ' ' ARG . . . -157.54 132.02 3.07 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -46.62 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 0.715 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.86 78.35 1.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 41.02 83.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -167.43 110.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 0.702 . . . . 0.0 109.561 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -63.1 -33.89 76.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.659 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -58.32 -63.53 5.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 122' ' ' VAL . 4.6 mt -54.59 -50.87 67.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -35.01 68.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 m -68.01 -34.33 76.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.836 HG22 ' HA2' ' A' ' 73' ' ' GLY . 46.1 t -71.23 -41.46 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.886 HG13 ' HE2' ' A' ' 130' ' ' PHE . 10.6 t -70.03 -29.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.71 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -80.58 -47.13 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.688 HD21 ' CB ' ' A' ' 80' ' ' ALA . 14.6 mt -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.883 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.92 4.05 65.9 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.663 ' OG1' ' CE2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER 73.76 139.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 0.0 110.452 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.9 OUTLIER -169.0 28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.682 ' O ' HD11 ' A' ' 108' ' ' ILE . 11.6 t0 86.47 22.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.886 ' HE2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -52.04 174.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 91' ' ' ILE . 58.7 mt-30 -119.21 150.7 39.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.216 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.634 HH12 ' N ' ' A' ' 111' ' ' GLY . 0.1 OUTLIER -138.94 151.18 46.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 1.095 HG22 ' HB3' ' A' ' 106' ' ' LEU . 10.8 t -136.68 80.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.2 mpp_? -88.91 144.71 26.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.104 HD13 HD22 ' A' ' 24' ' ' LEU . 4.2 mp -98.32 150.51 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . -95.05 101.23 2.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.897 HD11 HG21 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -107.61 103.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.86 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 152' ' ' GLU . 1.2 t80 -71.43 -29.01 64.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.897 HG21 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -73.88 -32.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 39.2 mt -94.65 30.45 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 6.9 mm-40 -83.57 -100.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 155' ' ' THR . 19.2 t30 160.02 57.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.881 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -65.97 27.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.657 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -11.93 -55.65 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.655 1.222 . . . . 0.0 110.423 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.776 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.81 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.881 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -40.42 -29.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 162' ' ' VAL . 7.6 mt-10 -80.94 -42.56 21.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.027 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.44 -32.39 62.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.648 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.03 -41.02 60.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.887 ' O ' HG22 ' A' ' 165' ' ' ILE . 9.0 tp10 -78.05 -35.37 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.2 t -49.51 -52.5 49.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.027 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.91 -33.01 5.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.568 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 18.2 m -55.32 -53.28 58.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.19 . . . . 0.0 110.409 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.887 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.06 -52.08 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.853 ' N ' HD13 ' A' ' 165' ' ' ILE . 56.0 m -45.84 -48.27 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 108.298 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -64.79 -48.67 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.646 ' HB3' ' CZ2' ' A' ' 191' ' ' TRP . 0.6 OUTLIER -63.27 -47.81 80.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.486 ' CB ' HG12 ' A' ' 104' ' ' ILE . . . -68.94 -35.57 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.56 -48.13 75.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.8 t0 -67.62 -42.05 82.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.592 1.182 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.888 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.38 -35.73 81.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.6 m -64.07 -50.62 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -56.98 -47.01 81.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 178' ' ' GLU . 0.6 OUTLIER -63.13 -35.44 80.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.71 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -56.87 -51.14 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.3 -27.09 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.1 OUTLIER -59.53 -72.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -75.25 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.236 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -160.66 -170.61 25.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' A' ' 185' ' ' GLN . 25.0 ptt? -89.43 -12.66 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.539 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -50.81 -49.24 80.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -74.96 -37.22 2.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.398 1.736 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.54 -44.32 87.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.8 tt0 -67.34 -37.09 82.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 1.013 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.5 t-20 -81.91 -24.4 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.55 -57.87 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.352 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.888 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.31 -55.0 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -70.09 -13.87 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 1.013 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.62 93.53 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.378 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.646 ' CZ2' ' HB3' ' A' ' 168' ' ' GLN . 20.0 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.999 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.419 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.7 Cg_endo -74.95 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.486 1.782 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.1 mt -136.76 142.84 43.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.573 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -111.44 142.28 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.767 HG22 ' HA ' ' A' ' 62' ' ' LEU . 1.2 m -126.29 143.63 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.606 HG11 ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.06 122.19 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.75 108.18 3.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.913 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -89.58 94.13 9.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.402 0.707 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 68' ' ' TYR . . . -116.3 -149.63 9.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 22' ' ' HIS . 24.6 t-20 -136.61 127.16 16.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.03 -24.92 12.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.72 178.61 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -131.21 -179.0 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 m120 56.17 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.893 ' CE1' HD22 ' A' ' 151' ' ' LEU . 4.1 t80 -68.39 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.467 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -77.37 -40.75 42.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.1 tpt180 -51.38 -47.01 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.674 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 63.5 p -24.83 -45.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.674 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.63 -15.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -54.27 -4.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.719 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.7 t-20 -111.29 35.89 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.884 HD12 HD13 ' A' ' 135' ' ' ILE . 0.5 OUTLIER -65.17 -67.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -34.74 -60.36 0.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -63.93 -35.57 81.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.0 t -59.67 -42.03 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.887 HG21 HD11 ' A' ' 93' ' ' ILE . 26.5 t -71.09 -50.22 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -57.74 -45.71 85.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.4 t0 -59.15 -43.49 92.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -59.22 -62.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -58.5 -30.53 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.662 ' CB ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.53 -24.52 53.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -29.43 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -43.44 16.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -48.34 66.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.34 -8.85 79.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.74 144.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -90.42 61.15 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.917 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 40.0 m-85 -34.41 152.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -115.54 178.42 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.336 179.922 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.59 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -153.44 96.5 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 2.8 t60 179.82 -146.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.13 . . . . 0.0 109.647 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 87.64 161.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -27.87 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.046 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.866 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -82.14 -23.63 35.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 58.98 70.1 1.09 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.829 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -152.82 177.72 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.59 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 1.5 tp10 -89.47 149.32 22.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.6 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 10.5 p -175.01 158.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -163.67 128.91 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.34 126.76 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -114.32 107.47 1.85 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.64 107.76 17.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.51 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.22 -155.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 42.8 27.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.49 40.44 98.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.147 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.51 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 176.7 157.22 0.29 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 0.743 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -81.45 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -167.12 120.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 6' ' ' LEU . 37.2 t -101.0 110.73 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.767 ' HA ' HG22 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -91.97 116.89 29.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.45 161.61 28.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.87 110.46 0.24 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.829 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.03 -158.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.509 ' C ' ' N ' ' A' ' 68' ' ' TYR . 35.3 mmt180 -84.92 -85.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.597 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -44.39 -22.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 108.288 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 63.13 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.913 ' HA ' HD13 ' A' ' 10' ' ' LEU . 62.6 ttp -36.47 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.446 ' N ' ' HG2' ' A' ' 69' ' ' MET . 16.8 m120 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.592 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -57.61 -38.38 74.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.729 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.9 t -73.34 -55.78 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.54 -52.05 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.977 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.18 -48.18 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 1.9 tt0 -42.74 -51.29 5.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 5.7 mt -67.21 -44.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.86 -69.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.977 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.866 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.88 -39.38 62.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.8 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.89 -48.67 62.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.212 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -15.24 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -76.95 -45.11 28.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.527 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 16.6 m-85 -84.99 -10.93 56.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t 54.1 50.3 16.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.556 HG12 ' H ' ' A' ' 86' ' ' ALA . 2.2 t -95.98 173.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.556 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -81.56 153.6 70.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.99 -34.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.19 2.61 6.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.717 ' HA ' HD23 ' A' ' 5' ' ' LEU . 57.2 m-20 -103.05 -22.03 13.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 47.4 mt -86.8 133.25 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -135.96 119.24 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 132' ' ' ARG . 7.3 p -108.12 123.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.887 HD11 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -103.65 146.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 1.019 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.5 t60 -152.93 -177.1 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.418 ' H ' ' CG ' ' A' ' 94' ' ' HIS . 4.7 p-10 -110.24 141.42 43.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.546 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -149.33 157.41 43.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.49 113.25 25.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.478 ' O ' HD22 ' A' ' 99' ' ' LEU . 4.4 t0 -110.75 -70.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.561 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -136.29 -88.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 138' ' ' GLY . 35.8 mp0 -94.44 175.51 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.575 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -92.97 59.07 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.068 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.498 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -178.19 40.63 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.573 1.17 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.627 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp85 -133.26 158.83 41.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.897 HG23 ' CG1' ' A' ' 165' ' ' ILE . 0.9 OUTLIER -122.98 160.13 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.8 OUTLIER -148.02 108.33 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.22 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.818 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.66 139.23 42.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 7.4 mtpt -153.15 -178.78 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.745 HG23 ' H ' ' A' ' 109' ' ' GLY . 2.2 tp -97.45 -90.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.745 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -140.49 51.3 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.602 1.188 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -102.81 49.72 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.6 -118.42 0.59 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.428 ' CD ' ' CZ ' ' A' ' 132' ' ' ARG . 2.5 mt-10 73.32 72.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -81.21 56.46 4.86 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 15.2 m80 -157.67 105.31 2.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 0.723 . . . . 0.0 109.585 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.63 -44.07 80.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.414 ' HA3' HD22 ' A' ' 10' ' ' LEU . . . -55.47 -62.95 5.74 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.582 HD13 ' HE ' ' A' ' 132' ' ' ARG . 9.7 mt -51.78 -45.38 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.223 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.7 mtt180 -58.65 -34.63 71.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 41.4 t -73.89 -30.23 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.773 HG13 HD12 ' A' ' 125' ' ' LEU . 2.2 t -69.8 -44.41 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.63 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.34 -39.95 83.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.14 -35.25 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -75.97 -51.5 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' A' ' 80' ' ' ALA . 16.0 mt -80.13 -21.45 43.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.63 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 83.7 0.22 89.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 86.04 121.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.72 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.1 mmtt -163.01 24.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.72 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 73.5 m-20 103.53 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 32.1 m-85 53.7 149.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -107.66 159.61 16.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.582 ' HE ' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -139.2 148.69 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 106' ' ' LEU . 16.8 t -130.77 86.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.504 ' C ' ' HG3' ' A' ' 105' ' ' ARG . 3.8 mpp_? -86.3 163.49 17.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.019 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -112.36 152.78 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -102.76 87.62 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.653 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.23 99.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.386 0.697 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.561 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.576 1.172 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.5 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.93 -29.9 61.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.578 HG13 ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -63.55 -33.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.893 HD22 ' CE1' ' A' ' 17' ' ' TYR . 11.6 mt -108.05 31.29 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.604 ' O ' HG22 ' A' ' 20' ' ' THR . 3.5 tp10 -68.81 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.608 ' C ' ' H ' ' A' ' 155' ' ' THR . 14.3 t-20 167.02 50.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.872 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -67.97 30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.98 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.67 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -9.4 -56.28 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.795 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.95 -80.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.872 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -41.92 -28.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.624 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 4.4 mt-10 -80.12 -42.42 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -75.5 -31.91 60.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.69 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -74.52 -41.31 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.757 ' O ' HG22 ' A' ' 165' ' ' ILE . 1.8 mm-40 -77.81 -36.39 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.2 t -48.33 -51.09 53.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 54.4 m -53.79 -53.59 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.972 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -77.15 -45.33 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.972 ' N ' HD13 ' A' ' 165' ' ' ILE . 13.6 m -50.86 -53.35 33.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 164' ' ' THR . 3.2 pt-20 -59.5 -47.19 86.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -60.58 -48.12 83.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.954 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.657 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -68.06 -36.52 79.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.64 -43.78 76.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 t0 -67.94 -45.48 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.047 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -60.15 -36.63 77.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.4 m -64.73 -52.73 55.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.652 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.29 -35.35 67.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.652 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -72.98 -41.36 64.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.781 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.1 tt -53.38 -42.48 66.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 56' ' ' ALA . 51.7 mt -77.82 -30.67 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.34 -32.36 73.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -159.6 -71.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.454 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.92 175.11 35.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -88.39 -16.6 32.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 111.034 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -46.81 -48.53 50.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.547 ' HG2' HD23 ' A' ' 175' ' ' LEU . 18.5 Cg_endo -74.98 -39.88 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -64.44 -36.92 85.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.38 -40.12 67.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.226 -179.932 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.935 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.1 t-20 -79.43 -20.48 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.54 -53.01 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.047 HG21 ' HB2' ' A' ' 172' ' ' ALA . 46.5 t -88.87 -57.57 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.2 t-80 -70.29 22.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.935 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -90.86 -31.57 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.521 ' CZ2' ' HD3' ' A' ' 103' ' ' ARG . 3.3 p-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.488 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -74.99 -175.95 2.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.083 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -122.77 125.94 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -111.77 138.61 48.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.78 HG12 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -133.44 143.83 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -132.97 116.88 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 64' ' ' LYS . . . -89.52 107.32 3.39 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.502 1.126 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.783 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.57 105.24 17.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -118.09 -147.34 8.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.517 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 21.6 t-20 -137.38 123.53 13.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.0 -25.26 12.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -58.42 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -155.64 -76.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -42.68 -45.87 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -89.48 -19.45 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -74.73 -28.74 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 21' ' ' ARG . 15.8 mmt85 -58.16 -13.49 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 p -75.82 22.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 65.06 8.85 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.568 ' CE1' ' NE2' ' A' ' 94' ' ' HIS . 34.2 t-80 -69.2 11.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.635 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.73 ' OD1' HG23 ' A' ' 27' ' ' VAL . 24.1 t-20 -111.11 -0.16 16.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.785 ' HB3' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -34.3 -59.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -35.84 -58.99 0.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CE2' ' OD2' ' A' ' 30' ' ' ASP . 30.5 t80 -80.79 -30.97 35.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.756 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.73 HG23 ' OD1' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -60.9 -47.28 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.724 HG13 HD12 ' A' ' 32' ' ' LEU . 2.1 t -74.36 -51.25 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.17 -35.25 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.623 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 57.3 m-20 -71.04 -56.0 7.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.37 -52.62 63.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.724 HD12 HG13 ' A' ' 28' ' ' VAL . 11.1 mt -58.35 -34.65 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -73.47 -54.87 7.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 -23.34 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 5.5 mpt_? -90.88 -57.1 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -60.61 -17.3 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.8 -5.46 82.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' A' ' 36' ' ' LEU . . . -32.56 144.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 0.732 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 52.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.681 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.35 -164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.12 -162.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -124.44 106.26 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.3 110.11 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.59 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -63.09 -53.52 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -45.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.817 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -60.31 -29.57 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 73.03 70.46 1.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 174.38 175.91 0.16 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.459 0.74 . . . . 0.0 109.398 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.8 mt-10 -85.21 145.96 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 10.3 m -145.11 118.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.681 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -114.08 110.73 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.35 124.95 40.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 -159.25 8.18 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.8 mtp180 -158.67 130.81 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -175.46 -170.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.488 ' H ' HG23 ' A' ' 177' ' ' ILE . . . 43.11 27.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 67.02 51.02 42.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 164.32 156.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 110.349 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.462 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -52.2 165.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.4 pp -143.59 113.01 6.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.503 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 25.9 t -106.54 102.52 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -106.85 104.62 14.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -120.48 173.54 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER 179.52 123.17 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.732 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -160.99 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.508 ' C ' ' N ' ' A' ' 68' ' ' TYR . 57.2 mmt-85 -79.43 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.14 -23.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.96 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.732 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.4 m-85 63.19 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.73 ' HA ' HD13 ' A' ' 10' ' ' LEU . 10.5 ttt -35.82 -93.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.667 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 4.3 t30 -61.51 -41.43 97.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -50.65 -48.8 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 68' ' ' TYR . 35.9 t -61.07 -52.38 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.872 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.47 -51.1 3.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.967 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.05 -56.63 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.644 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -39.68 -49.49 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.933 HG23 HD21 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -68.76 -45.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 179.924 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.967 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.07 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.58 -39.78 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.763 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.33 -51.0 49.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -15.79 60.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -75.8 -43.45 46.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.95 -10.69 59.89 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.7 t 50.92 45.97 26.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 HD21 ' A' ' 89' ' ' ASN . 4.4 p -105.09 169.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.562 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.35 149.0 51.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.705 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.06 -12.66 21.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.56 -18.87 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.755 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -103.39 -11.77 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.608 ' CG2' ' CD2' ' A' ' 130' ' ' PHE . 0.7 OUTLIER -95.96 131.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.942 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.78 ' CD1' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -137.49 141.9 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.84 ' C ' HD13 ' A' ' 93' ' ' ILE . 22.0 t -113.51 131.19 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.84 HD13 ' C ' ' A' ' 92' ' ' VAL . 0.4 OUTLIER -103.44 138.91 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.918 ' O ' HD12 ' A' ' 135' ' ' ILE . 5.5 t-160 -159.83 172.13 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.57 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.753 ' OD1' HD13 ' A' ' 137' ' ' ILE . 9.2 t70 -111.45 141.73 44.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 13.5 t0 -141.96 151.85 42.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -102.51 103.93 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.414 ' C ' ' HA3' ' A' ' 138' ' ' GLY . 0.6 OUTLIER -106.21 -82.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.46 ' N ' ' HA3' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -137.83 -44.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.0 OUTLIER -87.39 125.66 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.25 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 154' ' ' PHE . 1.5 t80 -90.96 33.62 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.499 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -178.79 49.22 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 135' ' ' ILE . 21.7 mmt-85 -135.95 173.65 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.87 HG23 HD11 ' A' ' 165' ' ' ILE . 1.5 pp -123.82 156.27 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -145.92 113.44 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.872 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -120.27 127.86 52.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 166.4 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 109.277 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.567 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.1 OUTLIER -94.68 -55.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.34 60.63 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.26 88.52 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.94 -150.97 9.57 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.21 67.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.97 -49.76 26.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 176.12 66.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.464 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 1.5 m-70 -118.84 147.31 44.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.547 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 120' ' ' SER . 6.2 m-20 -55.34 -63.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.511 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -56.74 -52.67 49.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.662 ' O ' HG12 ' A' ' 121' ' ' VAL . 11.9 mt -52.1 -50.58 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.386 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -67.96 -33.56 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 116' ' ' ASN . 33.5 t -72.51 -28.27 62.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.872 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.12 -43.18 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 126' ' ' GLY . 89.7 t -70.38 -30.62 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.8 -35.88 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -82.56 -43.25 17.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 130' ' ' PHE . 20.8 mt -79.61 -24.79 41.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 70.77 5.84 58.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.568 1.167 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.535 ' O ' ' CD ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER 56.83 158.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 110.404 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 5.7 tptt 170.14 35.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.626 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.9 t70 92.31 19.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 1.061 ' CE2' HD13 ' A' ' 125' ' ' LEU . 28.3 m-85 -54.37 166.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.521 ' OE1' HG22 ' A' ' 91' ' ' ILE . 75.4 mt-30 -109.89 154.65 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.55 147.4 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.805 ' HB ' HD12 ' A' ' 93' ' ' ILE . 58.5 t -135.41 83.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -90.53 144.06 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.918 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.8 mp -95.52 149.46 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -93.67 107.18 3.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.753 HD13 ' OD1' ' A' ' 95' ' ' ASP . 1.0 OUTLIER -116.6 19.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' HA3' ' N ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.17 91.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -77.28 -27.71 53.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.701 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -69.16 -30.74 47.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.374 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 151' ' ' LEU . 13.7 mt -83.24 7.86 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 4.9 tp10 -109.65 -117.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 6.0 t-20 152.08 144.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 1.033 ' CG ' ' HB3' ' A' ' 157' ' ' ALA . 0.0 OUTLIER -79.03 39.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.68 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -6.42 -58.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.772 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -78.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 1.033 ' HB3' ' CG ' ' A' ' 154' ' ' PHE . . . -44.34 -29.67 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.647 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -78.47 -37.35 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.002 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -57.93 -45.67 86.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.68 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.77 -33.85 52.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 1.04 ' O ' HG22 ' A' ' 165' ' ' ILE . 78.9 mt-10 -75.08 -38.28 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -52.47 -52.78 60.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.002 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.93 -26.45 11.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.636 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.6 m -64.58 -58.05 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 1.04 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -69.0 -54.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.231 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.684 ' N ' HD13 ' A' ' 165' ' ' ILE . 61.5 m -43.61 -44.0 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.06 -42.4 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 165' ' ' ILE . 0.1 OUTLIER -67.35 -46.87 72.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.853 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.94 -36.42 82.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -63.44 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.2 t0 -68.02 -43.94 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.056 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.22 -42.66 86.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.39 -52.22 54.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -56.68 -48.27 78.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -63.13 -37.97 89.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.759 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.6 tt -55.64 -44.62 77.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.488 HG23 ' H ' ' A' ' 56' ' ' ALA . 9.2 mt -73.55 -27.84 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.94 -41.84 97.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -150.76 -71.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.439 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -155.96 176.33 33.47 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.409 ' HB3' ' HG ' ' A' ' 176' ' ' LEU . 8.1 ptp -89.14 -15.38 33.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.0 OUTLIER -46.41 -48.12 46.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.93 -39.1 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.52 -38.34 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.599 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.32 -39.56 65.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.886 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 35.1 m-20 -79.54 -19.54 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.61 -53.17 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.056 HG21 ' HB2' ' A' ' 172' ' ' ALA . 18.9 t -87.19 -66.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.599 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.8 t-80 -53.48 -12.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.672 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -117.45 67.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.672 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 19.4 m-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 152.5 40.97 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.649 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -119.59 126.97 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.755 HD22 HG12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -104.33 143.74 32.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.974 HG12 ' CG1' ' A' ' 91' ' ' ILE . 3.7 m -131.32 140.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -135.45 120.4 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.41 110.39 3.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.588 1.18 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.887 HD13 ' CA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -97.44 98.55 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.67 -148.54 8.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.63 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 20.9 t-20 -129.81 119.83 19.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.02 150.72 38.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.763 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 43.3 -164.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.408 1.067 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.6 104.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 0.781 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -56.39 -17.83 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 151' ' ' LEU . 10.7 t80 -68.05 -17.59 64.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 12' ' ' ASN . . . -71.09 -36.36 72.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.0 tpt85 -44.88 -44.48 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.571 HG21 ' O ' ' A' ' 151' ' ' LEU . 62.8 p -34.12 -34.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.814 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.2 mtt-85 155.89 -16.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.609 ' CE1' HD21 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -58.3 0.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.681 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -117.36 30.14 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -58.44 -55.92 28.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -37.46 -64.83 0.68 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.067 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD1' ' HD2' ' A' ' 64' ' ' LYS . 6.1 t80 -69.76 -31.15 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.796 . . . . 0.0 111.021 179.93 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.3 t -60.82 -41.17 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.523 ' HB ' HD11 ' A' ' 93' ' ' ILE . 9.0 t -73.02 -51.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -59.03 -32.6 69.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.3 m-20 -68.55 -49.53 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.21 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.36 -56.33 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.92 -55.83 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.91 -20.1 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.22 -29.59 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -42.68 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -20.92 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.4 55.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.39 1.056 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.82 174.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 61.3 1.62 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.722 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.1 -162.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -155.28 -165.41 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -166.71 142.47 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' ALA . 6.0 t-80 -136.11 179.06 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.42 -165.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.2 tpm_? 34.65 -139.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.417 ' H ' ' CG ' ' A' ' 45' ' ' ARG . 84.7 p -72.53 52.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -128.99 -66.32 0.11 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 43.83 -170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.614 0.832 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -72.09 143.25 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -160.95 133.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.722 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -136.77 121.93 19.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 126.31 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.36 134.33 5.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 3.5 mtp180 -111.79 110.86 21.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 0.812 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 3.9 m -164.98 -176.89 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.49 17.63 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.259 179.901 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.16 38.86 38.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 tpm_? 177.22 158.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 1.6 t -74.46 168.82 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.1 pp -152.63 115.79 4.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.706 HG11 HD11 ' A' ' 6' ' ' LEU . 73.4 t -108.15 91.52 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.95 ' HA ' HG23 ' A' ' 7' ' ' VAL . 1.1 tm? -86.22 110.93 19.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.55 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . . . -126.1 173.98 8.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.611 ' CE ' HD11 ' A' ' 62' ' ' LEU . 1.4 pttp 173.14 119.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.756 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.13 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.1 mmt180 -80.08 -85.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.558 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.79 -15.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 108.338 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.635 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.5 m-85 60.3 -82.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.887 ' CA ' HD13 ' A' ' 10' ' ' LEU . 36.3 ttp -39.27 -90.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.689 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 26.3 m-20 -60.21 -44.45 95.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.2 OUTLIER -48.88 -42.99 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.635 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.5 m -64.7 -54.8 25.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.846 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.3 -52.38 3.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.609 1.193 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.62 -54.63 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.1 mm-40 -43.01 -48.65 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.728 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.4 mt -68.0 -44.16 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.4 -67.54 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.92 -47.34 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.65 -42.18 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.804 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.78 -49.61 65.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -16.42 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.731 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.1 t80 -75.98 -37.56 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -77.06 -9.53 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.6 p 48.55 45.25 21.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.62 173.23 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -79.7 129.59 70.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.606 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.0 Cg_endo -74.98 -1.17 10.87 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.71 -8.94 47.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 6' ' ' LEU . 9.6 p30 -101.79 -10.69 19.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.755 HG12 HD22 ' A' ' 6' ' ' LEU . 18.3 mt -85.76 134.65 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.974 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -136.26 115.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 8.8 p -100.63 129.97 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.245 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.915 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -107.13 145.76 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.992 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.3 t60 -153.65 169.08 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.438 ' HA ' ' HB ' ' A' ' 135' ' ' ILE . 1.4 p30 -104.93 143.7 32.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.676 ' O ' HD13 ' A' ' 137' ' ' ILE . 4.4 t0 -151.64 166.49 31.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.584 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.9 OUTLIER -98.66 114.02 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -108.39 -84.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.431 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -138.16 -73.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -91.53 165.55 13.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -95.27 123.92 39.04 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.755 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 98.61 52.7 1.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.647 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -135.26 126.97 29.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.757 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.1 pp -102.12 153.07 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -147.76 115.69 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.814 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.63 138.0 41.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 12.8 mtpt -149.54 179.5 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 130' ' ' PHE . 1.4 tp -129.79 -87.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.766 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -61.83 -79.7 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -56.04 94.9 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . -170.07 -149.37 6.32 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 43.91 64.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.92 -95.81 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -125.49 80.19 0.36 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.46 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 77.4 m-70 -137.79 126.13 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.23 -44.86 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.461 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -62.72 -58.66 11.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.731 ' O ' HG12 ' A' ' 121' ' ' VAL . 12.4 mt -52.16 -46.83 65.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.517 ' O ' HG12 ' A' ' 122' ' ' VAL . 5.9 ttt180 -62.08 -32.31 72.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 7.8 t -74.1 -27.4 60.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.846 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.92 -43.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.8 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.41 -44.86 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.421 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.82 -35.85 72.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.23 -45.02 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.804 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -81.0 -22.26 39.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.81 4.54 76.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 77.72 122.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 21.1 tptt -167.84 30.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.5 m-20 88.36 117.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.837 ' O ' HD12 ' A' ' 108' ' ' ILE . 43.0 p90 -167.56 160.18 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -130.11 166.59 19.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.448 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -147.03 150.29 34.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.915 ' HB ' HG22 ' A' ' 93' ' ' ILE . 6.6 t -119.19 89.52 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.356 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 7.2 mtp180 -85.92 163.08 18.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.992 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.0 mp -122.09 142.67 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.95 91.8 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.944 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -104.5 102.66 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' A' ' 101' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.85 82.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -25.07 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.944 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -63.67 -43.24 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.609 HD21 ' CE1' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -110.7 35.16 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.594 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.0 OUTLIER -56.38 -81.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.651 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.3 t-20 148.69 50.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.805 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -66.65 27.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.651 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.76 -51.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.457 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.71 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.05 -71.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.805 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.15 -42.62 9.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.677 ' O ' ' N ' ' A' ' 162' ' ' VAL . 20.3 mt-10 -73.59 -30.91 63.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 1.038 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.04 -38.96 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.627 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.13 -36.23 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.391 179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 1.8 mm-40 -77.93 -33.9 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -55.69 -53.15 65.86 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.038 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -31.11 6.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.537 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -69.84 -49.55 51.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.755 HD13 ' O ' ' A' ' 102' ' ' GLY . 5.3 tp -72.85 -58.95 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.584 ' HB3' HD22 ' A' ' 31' ' ' LEU . 87.5 m -44.61 -47.76 10.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.0 tt0 -58.59 -47.76 83.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.603 ' CG ' ' CH2' ' A' ' 191' ' ' TRP . 1.1 tp60 -65.19 -42.68 93.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.757 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.63 -40.65 80.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.35 -42.68 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 11.3 m-20 -67.37 -44.63 78.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.997 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.29 -43.05 87.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.5 m -62.84 -52.19 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -60.08 -44.58 94.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -67.99 -42.79 80.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 176' ' ' LEU . 3.4 tt -50.2 -48.26 54.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -74.22 -28.27 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.89 -31.23 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -154.84 -72.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -163.75 173.02 39.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.5 1.125 . . . . 0.0 111.085 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.9 ppp? -84.27 -28.0 27.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -38.73 -51.62 3.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.96 -37.74 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.83 -38.53 91.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.627 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.05 -40.74 68.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.805 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 52.0 m-20 -78.06 -21.12 51.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -95.58 -52.37 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.997 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.8 t -89.11 -57.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.627 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 17.5 t-80 -67.16 21.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -140.15 78.63 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.603 ' CH2' ' CG ' ' A' ' 168' ' ' GLN . 14.0 m95 . . . . . 0 C--N 1.324 -0.51 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.5 Cg_endo -74.94 166.2 29.74 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -121.49 135.97 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -108.85 144.34 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.031 HG12 ' CG1' ' A' ' 91' ' ' ILE . 1.4 m -131.58 140.96 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.38 125.36 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.01 113.72 4.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.647 HD21 ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -91.8 117.26 29.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.54 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -135.08 -141.24 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.46 HD21 ' HA ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -137.56 126.56 14.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.91 93.01 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.611 1.848 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 34.0 55.76 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.43 150.58 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.381 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -60.71 -14.65 22.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.989 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -89.44 -17.99 27.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.0 -25.7 22.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.9 mmt180 -49.92 -43.24 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.989 HG22 ' O ' ' A' ' 17' ' ' TYR . 4.2 t -76.58 26.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.824 ' HB3' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 64.95 22.74 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.951 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.43 6.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.581 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' ARG . 60.9 t30 -126.43 35.56 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -61.28 -48.67 80.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.835 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -47.77 -47.06 24.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.8 t80 -82.83 -31.85 27.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.647 HG21 ' NH1' ' A' ' 21' ' ' ARG . 2.1 t -66.87 -37.74 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 24' ' ' LEU . 16.2 t -78.85 -52.43 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 1.091 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.71 -34.88 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.2 t70 -74.18 -49.13 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -61.63 -18.25 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -82.77 -26.7 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 6.5 mpt_? -99.38 -42.72 6.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -22.96 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.06 -4.02 82.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -32.05 148.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.7 60.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.722 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -79.46 -156.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -161.81 -161.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -136.79 145.49 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.52 145.06 35.33 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.41 -49.9 7.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.6 mtt180 -38.3 -46.9 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.814 ' CB ' HD11 ' A' ' 79' ' ' LEU . 3.5 m -92.17 -30.62 15.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.95 66.23 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.552 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -174.72 -172.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.595 ' OE1' ' CZ ' ' A' ' 40' ' ' PHE . 2.0 mm-40 -112.8 149.48 32.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 34.5 m -148.32 151.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -145.72 124.37 12.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.03 124.43 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.38 113.84 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -111.44 104.64 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -172.03 -159.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.545 ' CB ' HG22 ' A' ' 177' ' ' ILE . . . 40.68 29.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.0 48.1 87.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER 168.27 154.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 0.748 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -81.46 165.75 20.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.5 pp -154.73 109.28 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 6' ' ' LEU . 39.7 t -102.56 95.24 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 1.091 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -88.28 115.32 25.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -125.8 171.35 10.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.822 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER 179.21 112.94 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.689 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 -156.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.496 ' C ' ' N ' ' A' ' 68' ' ' TYR . 79.6 mmt-85 -83.17 -84.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.594 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -47.96 -18.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.333 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.753 ' O ' ' N ' ' A' ' 72' ' ' SER . 20.2 m-85 60.92 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER -37.5 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.65 -39.73 73.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -56.07 -36.62 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -72.26 -56.78 4.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.871 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.88 -52.1 3.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.46 -48.57 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.613 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.0 tm0? -45.64 -49.63 14.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.784 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.67 -46.68 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.93 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.02 -47.3 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.814 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.5 -40.2 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.784 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.06 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -15.38 60.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.96 -45.01 37.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.584 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 14.8 m-85 -82.11 -12.21 58.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.9 p 55.98 52.33 10.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 109.949 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.584 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.9 t -104.58 172.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.123 ' HB3' ' ND2' ' A' ' 89' ' ' ASN . . . -81.66 150.84 67.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.93 -30.43 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.35 2.53 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 1.123 ' ND2' ' HB3' ' A' ' 86' ' ' ALA . 70.1 m-20 -101.98 -20.56 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.99 135.42 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.031 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -135.81 122.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 133' ' ' VAL . 10.0 p -104.62 137.05 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.002 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -116.35 147.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.836 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.8 t60 -155.78 164.01 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.642 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -95.92 143.48 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -161.86 155.05 20.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.647 HD23 HG23 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -87.62 115.72 25.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.733 ' O ' HD22 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -119.45 -65.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 98' ' ' ASP . 4.0 mm? -126.67 -103.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' A' ' 138' ' ' GLY . 19.6 mp0 -91.61 165.77 13.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' O ' ' CG ' ' A' ' 161' ' ' GLU . 4.0 m-85 -84.79 75.19 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.948 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.669 ' O ' ' CH2' ' A' ' 191' ' ' TRP . . . 159.59 41.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.705 HH21 HD23 ' A' ' 99' ' ' LEU . 4.4 tmm_? -134.76 157.23 47.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 0.776 . . . . 0.0 110.244 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.714 ' CG2' HD11 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -121.89 154.9 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 134' ' ' ARG . 5.9 ttt-85 -140.42 111.1 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.785 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.72 139.59 40.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.67 167.29 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -107.88 -55.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.521 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.7 64.05 0.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.79 -102.61 0.31 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 173.35 98.52 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -42.58 -30.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.215 -179.889 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.5 -114.64 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.37 93.78 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.452 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 34.0 m80 -150.6 138.88 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.756 . . . . 0.0 109.621 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.4 m-80 -71.31 -58.77 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.32 -58.08 10.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.748 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.0 mt -54.44 -52.62 61.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 6.3 ttm180 -58.49 -33.11 69.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 116' ' ' ASN . 2.7 t -70.18 -29.82 66.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.871 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.35 -43.2 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 126' ' ' GLY . 12.3 t -68.28 -32.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.55 -43.38 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -67.08 -45.98 75.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.967 HD13 ' CE2' ' A' ' 130' ' ' PHE . 16.5 mt -81.31 -21.09 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.08 6.96 81.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.419 ' OG1' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 71.89 126.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.359 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -162.46 27.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 8.4 m-20 74.45 96.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 0.967 ' CE2' HD13 ' A' ' 125' ' ' LEU . 84.3 m-85 -122.71 -177.5 3.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.593 ' OE1' HG22 ' A' ' 91' ' ' ILE . 67.0 mt-30 -115.3 154.56 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 133' ' ' VAL . 4.6 ttp-105 -138.8 165.43 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 1.002 ' HB ' HG22 ' A' ' 93' ' ' ILE . 25.2 t -154.21 86.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -90.06 141.69 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 94' ' ' HIS . 1.7 mp -98.16 142.88 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.49 106.69 3.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.642 HG21 ' OD2' ' A' ' 95' ' ' ASP . 1.2 pp -113.11 92.73 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.498 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.82 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -70.74 -28.75 64.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.951 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.647 HG23 HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -75.49 -27.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' A' ' 17' ' ' TYR . 35.9 mt -98.42 47.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.0 mm-40 -76.52 -108.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 11.1 t30 150.99 45.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.887 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.17 30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.963 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -13.76 -54.76 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 110.373 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.827 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.03 -78.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.887 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -42.29 -29.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 162' ' ' VAL . 2.9 mm-40 -81.48 -42.32 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -73.41 -32.59 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.698 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.2 -40.54 52.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.602 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 32.3 mm-40 -77.92 -35.22 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.4 t -50.37 -50.84 68.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.0 -32.22 5.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.5 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.9 m -56.06 -53.98 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.795 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.1 OUTLIER -76.75 -41.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.795 ' N ' HD13 ' A' ' 165' ' ' ILE . 46.6 t -49.81 -51.23 41.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.339 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.29 -52.01 60.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.09 -48.24 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.509 ' O ' ' HB ' ' A' ' 173' ' ' THR . . . -71.33 -32.2 68.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 170' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -54.71 -46.9 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 33.7 m-20 -71.55 -46.78 58.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 1.05 ' HB3' HG23 ' A' ' 188' ' ' VAL . . . -60.23 -48.98 79.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 173' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 170' ' ' ALA . 3.3 t -60.44 -39.94 89.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -56.24 -49.42 74.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.945 HD21 ' HG2' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -59.14 -46.72 87.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.837 HD22 ' HB1' ' A' ' 184' ' ' ALA . 0.7 OUTLIER -47.34 -55.94 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.545 HG22 ' CB ' ' A' ' 56' ' ' ALA . 58.5 mt -64.71 -25.16 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.642 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.4 OUTLIER -60.16 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.955 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.11 25.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 180' ' ' GLY . . . . . 0.719 ' O ' HD12 ' A' ' 176' ' ' LEU . . . -122.93 165.1 15.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.541 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 6.1 ptt? -151.46 -41.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 tp10 -60.66 -46.96 97.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.945 ' HG2' HD21 ' A' ' 175' ' ' LEU . 18.3 Cg_endo -75.06 -36.17 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.837 ' HB1' HD22 ' A' ' 176' ' ' LEU . . . -61.89 -45.29 94.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.64 -36.93 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.922 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 57.4 t30 -76.77 -23.1 52.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.3 tpt180 -103.03 -55.98 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 1.05 HG23 ' HB3' ' A' ' 172' ' ' ALA . 0.5 OUTLIER -73.97 -58.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -72.18 -2.02 17.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -142.54 99.89 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.669 ' CH2' ' O ' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.468 ' CB ' ' OG ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.96 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.93 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -131.02 164.47 25.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -118.92 140.72 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 ' CG1' ' A' ' 91' ' ' ILE . 21.2 t -124.57 141.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.51 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -130.48 124.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.06 111.1 4.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.803 ' CD1' HG13 ' A' ' 92' ' ' VAL . 2.1 mp -82.07 96.06 7.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.498 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -108.67 -162.85 20.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 34.5 t-20 -139.67 120.17 9.37 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.451 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.96 3.91 5.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -59.33 -156.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.61 -96.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -48.6 -36.26 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE1' HD22 ' A' ' 151' ' ' LEU . 8.2 t80 -88.34 -24.44 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 -26.11 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 21' ' ' ARG . 14.1 mmt180 -56.99 -15.42 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 151' ' ' LEU . 70.5 p -74.37 12.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.666 ' HD3' HG11 ' A' ' 162' ' ' VAL . 0.0 OUTLIER 80.71 5.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -56.14 -2.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.179 . . . . 0.0 109.622 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 21' ' ' ARG . 6.1 p30 -97.41 6.39 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.391 1.057 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 135' ' ' ILE . 1.4 tp -36.61 -61.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.594 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . -41.44 -44.37 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASN . 14.6 t80 -82.02 -35.38 28.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 1.7 t -67.38 -42.47 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.734 HG22 ' SG ' ' A' ' 166' ' ' CYS . 39.8 t -78.01 -36.63 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.906 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.88 -47.36 80.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.596 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 57.3 t0 -66.76 -43.14 84.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.514 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.03 -56.39 16.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 8.8 mt -57.11 -59.07 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -60.29 -13.47 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.24 -21.22 19.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -38.79 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -52.72 -21.18 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.93 -9.32 78.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 52' ' ' THR . . . -83.66 145.4 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.48 64.27 1.25 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 1.1 t80 -51.61 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -169.72 -168.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.765 ' HB2' ' CD ' ' A' ' 49' ' ' GLU . . . -134.42 152.47 51.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 10.1 t-160 82.97 -42.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.03 179.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt180 89.82 -71.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.651 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -172.93 32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.57 57.15 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.565 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -179.15 172.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.765 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 2.2 tt0 -86.37 151.33 23.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 62.1 t -155.27 155.1 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -168.07 110.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.575 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -63.23 164.58 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 110.336 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.655 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -150.26 120.92 1.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.572 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.12 116.56 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 36' ' ' LEU . 0.6 OUTLIER 171.37 178.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.509 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 60.92 13.15 4.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.62 33.88 37.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 55' ' ' SER . 6.4 tpm_? -179.04 152.85 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -81.94 173.19 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -161.33 126.34 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.27 103.21 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.906 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -90.04 113.33 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 50' ' ' VAL . . . -123.96 168.41 12.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.82 117.89 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.708 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.96 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.491 ' C ' ' N ' ' A' ' 68' ' ' TYR . 30.0 mmt180 -79.5 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.37 -20.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 108.298 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.7 m-85 61.25 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 1.0 OUTLIER -37.99 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.06 -34.13 77.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -58.28 -41.68 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.4 t -68.86 -51.01 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.617 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.12 -51.23 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.51 -47.02 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.606 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 5.7 tp60 -46.54 -49.97 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 26.4 mt -68.36 -44.85 83.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.63 -68.15 0.11 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.574 1.829 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.651 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.1 -40.19 63.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.815 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.73 -51.04 53.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -16.86 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.669 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -75.27 -44.59 45.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CE2' ' NH2' ' A' ' 45' ' ' ARG . 14.5 m-85 -85.99 -11.4 53.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.5 t 55.96 50.53 13.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.839 HG11 HD11 ' A' ' 90' ' ' ILE . 1.9 p -96.52 166.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.31 156.0 42.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.576 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.3 Cg_endo -75.02 -12.77 21.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.42 1.747 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.07 0.12 33.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.93 ' O ' HD12 ' A' ' 5' ' ' LEU . 16.2 m-20 -120.1 -14.73 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.839 HD11 HG11 ' A' ' 85' ' ' VAL . 51.1 mm -87.47 122.32 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.975 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -128.97 115.06 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -101.76 117.69 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.921 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.67 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -100.84 141.81 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -157.8 165.65 34.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.54 179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.724 ' CB ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -90.27 142.16 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -150.14 153.2 35.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.597 HD21 ' CG2' ' A' ' 150' ' ' VAL . 4.0 mp -85.89 114.41 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -109.69 -83.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -136.23 -75.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.8 mt-10 -92.9 171.08 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.11 49.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.973 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -176.39 43.36 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.652 ' O ' HG23 ' A' ' 135' ' ' ILE . 9.6 tpt180 -130.17 161.79 30.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.883 HD13 ' CB ' ' A' ' 169' ' ' ALA . 0.6 OUTLIER -122.6 160.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.627 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.6 OUTLIER -151.18 94.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.923 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.36 143.75 32.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.506 ' N ' HD22 ' A' ' 106' ' ' LEU . 1.9 ttmt -154.15 174.81 14.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.686 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -102.93 -88.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.642 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -131.09 42.1 1.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.01 -39.64 16.06 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.47 132.43 1.85 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -76.52 87.42 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -37.32 -91.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -58.13 -112.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER 158.5 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.607 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -55.16 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.563 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -74.21 -28.6 63.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 122' ' ' VAL . 9.4 mt -64.38 -58.87 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.5 ttt180 -65.8 -35.29 80.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 m -62.94 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.617 HG22 ' HA2' ' A' ' 73' ' ' GLY . 16.1 t -71.15 -41.03 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 118' ' ' LEU . 11.5 t -72.78 -26.01 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.0 60.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -82.49 -46.32 13.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 1.052 HD13 ' CE1' ' A' ' 130' ' ' PHE . 20.4 mt -79.43 -21.81 45.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 76.1 7.29 84.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.554 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 85.77 122.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.666 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 1.8 tppt? -143.73 10.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.686 ' O ' HD11 ' A' ' 108' ' ' ILE . 8.7 t0 80.98 20.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.917 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 130' ' ' PHE . . . . . 1.052 ' CE1' HD13 ' A' ' 125' ' ' LEU . 73.0 m-85 -51.18 158.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.561 ' HG3' HD13 ' A' ' 108' ' ' ILE . 69.5 mt-30 -95.08 157.32 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.38 150.74 42.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.645 1.216 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 106' ' ' LEU . 23.8 t -133.47 86.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.386 1.054 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.627 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 mtp-105 -88.81 144.77 26.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 135' ' ' ILE . . . . . 1.041 HD13 HD23 ' A' ' 24' ' ' LEU . 3.5 mp -97.57 152.03 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -105.85 100.47 1.68 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.155 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.574 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.3 pp -118.79 98.78 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 109.233 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.88 70.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 149' ' ' PHE . . . . . 0.551 ' CE1' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -76.32 -32.02 58.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.597 ' CG2' HD21 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.87 -31.57 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 46.4 mt -87.27 20.72 2.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.66 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.3 OUTLIER -59.36 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 153' ' ' ASN . . . . . 0.66 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.0 t30 141.61 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 154' ' ' PHE . . . . . 0.749 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 1.2 m-85 -70.98 28.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 155' ' ' THR . . . . . 0.583 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.65 -50.7 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 156' ' ' PRO . . . . . 0.749 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.98 -73.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 157' ' ' ALA . . . . . 0.68 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.25 -43.25 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 1.146 ' O ' HG13 ' A' ' 162' ' ' VAL . 1.2 mt-10 -69.98 -37.95 75.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 159' ' ' ARG . . . . . 0.934 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 1.1 mmm-85 -52.48 -39.42 61.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.928 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -83.35 -27.71 29.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.99 ' O ' HG22 ' A' ' 165' ' ' ILE . 28.2 mt-10 -79.15 -37.76 37.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 1.146 HG13 ' O ' ' A' ' 158' ' ' GLU . 4.5 m -62.02 -35.32 20.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 1.061 ' HD3' HG22 ' A' ' 162' ' ' VAL . 18.0 Cg_endo -75.09 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.501 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 6.0 m -55.69 -46.76 77.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.99 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.44 -51.49 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.925 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 166' ' ' CYS . . . . . 0.807 ' N ' HD13 ' A' ' 165' ' ' ILE . 40.2 m -51.0 -53.84 29.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.259 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 9.6 pt-20 -58.02 -47.85 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 168' ' ' GLN . . . . . 0.592 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 6.1 mm-40 -63.66 -39.71 95.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 169' ' ' ALA . . . . . 0.883 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -72.39 -41.24 66.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.31 70.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 171' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 13.3 m-20 -69.11 -41.13 77.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 172' ' ' ALA . . . . . 0.608 ' HB2' HG23 ' A' ' 188' ' ' VAL . . . -63.53 -38.27 90.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.6 m -63.89 -51.51 64.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.66 -43.54 85.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 175' ' ' LEU . . . . . 0.544 ' CD2' ' HB2' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -66.34 -35.97 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 176' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 181' ' ' MET . 6.4 tp -55.76 -54.37 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 177' ' ' ILE . . . . . 0.509 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 70.0 mt -73.26 -20.05 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -64.29 -76.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -106.55 -72.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.32 9.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 181' ' ' MET . . . . . 0.687 ' HA ' HD12 ' A' ' 176' ' ' LEU . 14.0 ptt? -100.92 -17.18 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 182' ' ' GLU . . . . . 0.505 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -42.33 -51.74 10.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 183' ' ' PRO . . . . . 0.565 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.99 -44.21 90.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.9 tt0 -67.5 -37.83 83.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 186' ' ' ASN . . . . . 0.844 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.8 -24.27 36.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 187' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -97.83 -57.5 2.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 188' ' ' VAL . . . . . 0.779 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -67.37 -48.23 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.1 OUTLIER -82.29 15.23 2.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 190' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -74.83 -44.45 49.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 191' ' ' TRP . . . . . 0.604 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 17.7 p90 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.491 0.186 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.48 129.9 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.45 136.32 0.7 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HA ' ' HG3' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -75.0 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -135.08 141.7 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.373 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -114.68 141.49 47.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.697 HG13 ' CG1' ' A' ' 91' ' ' ILE . 16.1 t -126.85 143.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.646 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.71 120.91 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.81 109.13 3.78 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.443 1.089 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -95.42 117.03 29.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -140.54 -144.99 4.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' HIS . 40.1 t-20 -136.12 129.08 17.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.557 1.82 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.67 -110.48 1.09 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -176.69 -136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m120 57.83 -80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.664 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -75.51 -17.38 60.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.68 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -71.11 -25.07 62.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 109.308 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.784 ' HG3' HG23 ' A' ' 155' ' ' THR . 0.5 OUTLIER -57.72 -31.78 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 p -76.86 35.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.61 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.7 mmp_? 58.6 14.24 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.4 t-160 -66.25 9.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.7 ' O ' HG23 ' A' ' 27' ' ' VAL . 4.1 t-20 -130.62 41.22 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -63.41 -49.88 72.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.71 -46.36 67.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -79.18 -25.78 42.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.727 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.3 t -73.67 -42.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -37.93 37.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.596 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -64.46 -45.06 89.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' PHE . 1.4 m-20 -64.17 -45.65 87.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -56.46 -60.65 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.64 -24.56 63.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -75.76 -54.37 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.56 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -53.77 7.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.75 93.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -9.51 77.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.17 144.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 85.71 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.851 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 74.3 m-85 -61.6 -179.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -157.35 -165.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -152.05 118.88 5.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 9.6 t-160 -176.07 -127.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' H ' ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 69.93 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -45.6 -26.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.645 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -77.85 -49.69 13.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.053 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.52 54.37 1.34 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -135.46 -179.62 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 2.6 tp10 -84.91 149.34 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.626 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.8 p -174.72 167.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.851 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -169.95 146.96 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.58 151.31 21.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -146.53 131.04 3.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -107.42 131.06 54.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 110.297 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 170.46 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.761 ' HA ' HG23 ' A' ' 177' ' ' ILE . . . 43.66 28.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 59.52 42.17 97.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HG3' ' HA ' ' A' ' 4' ' ' PRO . 5.3 tpm_? -176.98 155.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.87 165.98 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 1.4 pp -145.09 126.0 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 6' ' ' LEU . 14.3 t -108.9 98.57 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.626 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -96.49 113.23 24.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -121.75 169.72 10.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.62 116.84 0.15 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.89 -156.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.7 mmt180 -88.89 -87.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -42.43 -24.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.306 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 72' ' ' SER . 25.2 m-85 62.56 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.7 ttt -28.68 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.11 -36.19 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 74' ' ' ARG . 2.2 mt-10 -59.11 -33.15 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.884 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.2 t -76.5 -53.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.897 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -44.68 -50.91 8.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.977 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.25 -49.24 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -44.77 -49.71 10.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.924 ' CG2' HD11 ' A' ' 125' ' ' LEU . 4.9 mm -68.01 -46.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.32 -68.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.977 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.95 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.74 -39.44 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.796 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -50.44 57.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -16.56 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -76.95 -43.15 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.701 ' HB3' HG23 ' A' ' 85' ' ' VAL . 9.0 m-85 -87.32 -17.11 33.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.3 p 55.13 53.05 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.701 HG23 ' HB3' ' A' ' 83' ' ' TYR . 61.7 t -94.17 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.551 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -90.34 164.34 27.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.5 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.2 Cg_endo -75.03 -33.96 4.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.5 0.86 15.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.479 ' HA ' HD23 ' A' ' 5' ' ' LEU . 81.4 m-20 -108.91 -28.74 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 47.3 mt -88.52 132.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.896 HG13 HD11 ' A' ' 93' ' ' ILE . 1.1 pt -134.64 118.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.911 ' C ' HD13 ' A' ' 93' ' ' ILE . 12.9 p -102.09 123.76 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.99 HD12 ' HB ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -98.53 141.86 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.907 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -157.34 178.55 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.487 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -108.91 145.41 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.1 t0 -155.81 153.98 30.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.929 HD22 HG21 ' A' ' 150' ' ' VAL . 1.0 OUTLIER -91.94 116.2 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 138' ' ' GLY . 29.3 t0 -118.62 -60.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 138' ' ' GLY . 6.6 mt -132.81 -105.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.78 176.66 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.4 ' O ' ' CD ' ' A' ' 161' ' ' GLU . 3.0 m-85 -91.64 70.31 5.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.0 40.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.696 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -132.85 164.82 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.819 ' CG2' HD11 ' A' ' 165' ' ' ILE . 1.8 pt -121.97 164.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.7 tpt180 -149.12 97.72 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.216 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.878 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.59 127.49 52.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -147.8 177.97 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.864 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -105.93 -83.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -65.3 -53.74 31.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -47.15 129.14 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.14 -163.44 37.15 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 51.0 80.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.69 49.83 0.86 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 106.72 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.83 129.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.589 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.471 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 25.3 m120 -55.45 -42.78 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.01 -59.49 10.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 10' ' ' LEU . 11.5 mt -53.79 -46.37 71.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.535 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.65 -31.87 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 44.5 t -72.45 -27.74 62.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.897 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.82 -42.59 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -63.98 -43.54 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -73.04 -36.29 66.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.54 -47.15 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.924 HD11 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -82.21 -20.94 36.76 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.16 3.89 88.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 68.38 121.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 130' ' ' PHE . 3.3 tmtt? -141.13 13.99 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.864 ' O ' HD11 ' A' ' 108' ' ' ILE . 3.4 t70 83.82 19.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.713 ' CE1' HD22 ' A' ' 125' ' ' LEU . 80.6 m-85 -46.68 162.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.738 ' HG3' HD13 ' A' ' 108' ' ' ILE . 72.3 mt-30 -94.44 156.45 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.81 149.29 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.99 ' HB ' HD12 ' A' ' 93' ' ' ILE . 64.3 t -132.29 85.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -89.07 145.02 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.907 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.5 mp -96.15 149.91 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -94.17 94.53 1.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.81 HD11 HG22 ' A' ' 150' ' ' VAL . 1.4 pp -106.48 94.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . 64.19 177.67 5.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.2 157.92 75.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.762 ' CD ' HD12 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.98 118.13 5.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -25.65 11.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.798 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -179.38 -144.78 5.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -107.45 3.56 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -53.24 -59.02 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.915 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -175.24 89.26 0.3 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -53.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.88 89.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.915 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.83 -40.37 92.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' A' ' 152' ' ' GLU . 0.8 OUTLIER -76.16 -21.79 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.052 . . . . 0.0 110.957 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.929 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -82.22 -26.17 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.664 HD13 ' HE1' ' A' ' 17' ' ' TYR . 40.6 mt -103.3 50.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 28.2 mt-10 -77.39 -105.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.61 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.1 t30 157.07 51.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.809 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -69.29 29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.784 HG23 ' HG3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -20.14 -52.8 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.71 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.99 -70.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.5 1.789 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.809 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.87 -39.57 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 162' ' ' VAL . 8.8 mm-40 -74.35 -32.77 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.016 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.37 -44.22 88.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.699 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.73 -34.03 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 1.001 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.8 mm-40 -74.74 -37.05 62.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.643 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -54.24 -52.11 71.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.016 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -25.96 11.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.586 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -64.02 -59.81 4.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.001 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.82 -53.4 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.742 ' N ' HD13 ' A' ' 165' ' ' ILE . 61.6 m -44.76 -46.41 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 108.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.4 tt0 -62.06 -44.73 96.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.179 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.574 ' O ' HG11 ' A' ' 188' ' ' VAL . 0.0 OUTLIER -66.24 -47.95 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.53 77.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -62.17 -40.96 97.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 2.0 m-20 -68.11 -44.49 76.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.984 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.74 -41.38 86.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.8 m -63.98 -52.21 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -57.12 -48.25 79.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.7 -38.51 90.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 176' ' ' LEU . 5.0 tt -55.5 -44.51 76.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.761 HG23 ' HA ' ' A' ' 56' ' ' ALA . 84.7 mt -74.73 -26.08 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.99 -41.25 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.87 -72.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.443 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.59 176.38 35.51 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.566 1.166 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -87.7 -19.96 26.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 0.733 . . . . 0.0 110.994 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.549 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -45.51 -48.58 36.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.1 -39.09 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -63.23 -37.15 86.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.582 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -72.92 -40.56 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.789 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 25.3 t-20 -78.57 -21.21 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.2 ttt-85 -95.62 -52.84 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.984 HG21 ' HB2' ' A' ' 172' ' ' ALA . 16.8 t -88.26 -59.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.582 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.0 t-80 -66.64 22.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.653 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.38 -33.47 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.679 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.53 0.205 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.92 131.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.42 86.25 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.444 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 164.75 32.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.508 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -130.8 139.24 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.571 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -109.33 144.63 37.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.952 ' HB ' HD22 ' A' ' 62' ' ' LEU . 24.3 t -131.53 144.55 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG11 ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.93 119.67 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.36 109.77 3.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.994 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.02 101.6 13.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.86 -144.09 7.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -132.49 122.42 17.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.453 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -74.99 -160.38 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -33.79 102.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB1' ' CD2' ' A' ' 17' ' ' TYR . . . -173.94 106.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -52.73 -22.84 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.857 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -81.71 -19.63 41.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.073 . . . . 0.0 110.956 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -52.47 -24.68 8.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -58.57 -12.03 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.217 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 17' ' ' TYR . 70.0 p -75.59 26.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.596 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.2 mtp180 69.03 -0.97 2.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -65.92 7.91 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 62.0 t30 -124.49 29.52 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.766 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -51.36 -43.37 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -50.33 -60.95 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 1.4 t80 -78.07 -20.54 52.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 0.787 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' ASN . 9.6 t -74.28 -38.78 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.578 HG23 HD12 ' A' ' 24' ' ' LEU . 2.3 t -78.24 -51.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.86 73.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 32.3 t0 -69.17 -49.38 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -51.39 -55.33 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.61 -53.42 54.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.78 -25.9 66.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -71.33 -34.81 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -92.29 -45.17 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -170.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -93.51 36.18 3.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.636 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -22.7 121.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -161.53 67.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 1.0 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 1.2 p90 -139.76 -157.81 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -156.38 -164.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -123.15 124.5 43.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' HB2' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.06 143.26 44.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -97.19 -58.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.8 ttt180 -37.8 -38.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 1.008 ' CB ' HD11 ' A' ' 79' ' ' LEU . 99.3 p -94.95 -49.34 5.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.89 66.2 0.96 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -172.02 164.8 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.7 mm-40 -71.31 144.51 49.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 19.3 m -140.84 109.49 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.0 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.87 111.12 18.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 126.45 31.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.05 124.04 5.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtm105 -140.89 95.27 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.9 -168.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.82 20.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 70.74 43.42 59.49 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HD2' ' CD1' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 176.39 154.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -80.49 -178.88 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 175.28 103.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 6' ' ' LEU . 25.2 t -99.01 110.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.952 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -97.79 106.34 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' C ' ' CD ' ' A' ' 64' ' ' LYS . . . -126.92 166.25 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.519 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 179.51 124.71 0.22 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -157.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.409 1.742 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 55.2 mmt-85 -79.14 -84.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.656 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -45.57 -20.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 62.26 -81.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.841 ' CA ' HD13 ' A' ' 10' ' ' LEU . 7.0 ttm -35.99 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.073 . . . . 0.0 111.058 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.661 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 52.7 m-20 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.656 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.2 OUTLIER -50.93 -44.86 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -65.86 -49.47 68.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.885 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -43.21 -52.3 6.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.93 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.47 -53.52 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.534 ' HB2' ' HG3' ' A' ' 65' ' ' PRO . 10.3 mm-40 -44.09 -48.92 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.51 -45.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.56 -68.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.93 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.97 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.008 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.72 -41.37 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.032 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.48 -48.0 68.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -17.61 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -74.79 -43.2 55.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.69 ' HB3' HG23 ' A' ' 85' ' ' VAL . 4.5 m-85 -79.62 -5.16 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.7 t 53.31 46.86 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' HB3' ' A' ' 83' ' ' TYR . 74.2 t -103.55 159.46 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -87.29 164.27 36.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.236 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.1 Cg_endo -75.11 -30.51 6.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.51 -4.93 12.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 6' ' ' LEU . 71.7 m-20 -111.49 -25.05 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 50.9 mt -90.67 133.27 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.803 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -135.64 140.7 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.242 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 132' ' ' ARG . 5.4 p -124.95 132.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.751 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -112.2 147.98 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.994 ' CE1' HD11 ' A' ' 10' ' ' LEU . 1.5 t60 -156.68 173.18 17.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.3 145.61 35.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.5 t0 -156.67 152.41 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.53 103.76 11.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -100.68 -76.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 139' ' ' ARG . 3.6 mt -136.23 -80.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.3 mt-10 -92.0 166.91 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 5.1 t80 -96.21 99.43 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.46 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . 125.43 50.51 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.718 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -136.79 127.76 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.797 . . . . 0.0 110.36 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.79 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pt -92.06 153.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.3 ttt85 -144.04 111.61 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.69 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -106.49 143.15 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 ttmt -160.42 172.59 16.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.1 OUTLIER -131.45 -90.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.93 -22.51 6.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -39.75 -72.9 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 112.08 -175.6 17.32 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -88.39 91.87 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.55 -48.8 3.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.33 75.47 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.7 132.08 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -42.13 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.807 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.63 -60.36 8.89 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.571 1.169 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.42 -41.81 61.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.221 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.504 ' O ' HG12 ' A' ' 122' ' ' VAL . 4.3 ttt-85 -62.73 -34.49 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -74.39 -30.31 61.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.885 HG22 ' HA2' ' A' ' 73' ' ' GLY . 9.4 t -72.34 -41.92 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -68.07 -40.64 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.75 -36.81 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.31 -45.72 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.032 HD21 ' HB3' ' A' ' 80' ' ' ALA . 16.7 mt -84.79 -22.5 29.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 69.48 4.18 43.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.795 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -95.91 -151.28 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.412 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER 168.05 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -136.04 10.18 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.502 ' HE2' HG23 ' A' ' 122' ' ' VAL . 5.7 p90 -81.13 162.25 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 91' ' ' ILE . 46.9 mt-30 -88.88 156.55 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.236 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -142.82 150.09 39.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.751 ' HB ' HG22 ' A' ' 93' ' ' ILE . 49.0 t -133.72 86.38 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -90.26 144.84 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.384 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.982 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.9 mp -105.48 146.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.718 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -97.23 98.07 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.7 pp -107.99 84.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 139' ' ' ARG . . . -113.4 -135.53 6.25 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER 87.25 69.85 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 110.228 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.59 38.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.771 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -21.99 15.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 140.48 -45.41 0.98 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 177.33 35.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -104.57 -73.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.832 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 7.9 p30 -158.33 102.34 1.7 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.99 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.576 1.83 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.92 -49.15 40.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.832 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -57.07 -35.53 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.417 ' HA ' ' HG3' ' A' ' 152' ' ' GLU . 1.4 t80 -77.08 -32.29 56.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -68.29 -27.71 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.13 36.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.82 ' O ' HG22 ' A' ' 20' ' ' THR . 35.6 mt-10 -106.81 -119.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.629 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 59.4 t30 166.22 96.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.812 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -71.98 34.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.009 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.64 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -14.68 -55.42 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.442 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.729 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.0 -75.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.812 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -44.9 -34.42 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.76 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -78.59 -32.47 47.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 110.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.974 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.58 -47.63 81.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.717 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.72 -34.51 52.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 1.031 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.5 tp10 -76.09 -37.57 58.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.76 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.3 t -52.15 -50.81 76.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.163 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.974 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.02 -28.13 9.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 13.6 m -64.64 -59.36 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.031 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.02 -54.66 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.756 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.7 m -45.46 -47.7 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -59.19 -45.32 91.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.484 ' O ' ' CG1' ' A' ' 188' ' ' VAL . 0.4 OUTLIER -65.8 -46.3 79.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.766 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -67.8 -38.38 83.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.82 -44.86 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 5.3 m-20 -67.22 -43.58 81.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.024 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.89 -39.45 81.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.1 m -63.78 -53.66 47.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.67 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.54 -35.79 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.67 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.72 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.83 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.2 tt -54.72 -39.92 68.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.412 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 8.2 mt -75.98 -34.16 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.499 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.3 OUTLIER -54.56 -63.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -128.97 -71.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.1 -179.51 27.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.169 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.576 ' HB2' HD21 ' A' ' 106' ' ' LEU . 2.5 ptp -92.41 -16.51 25.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.7 mp0 -51.32 -44.37 88.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.05 -38.33 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.86 -33.79 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.56 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.03 -41.47 64.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.581 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 19.5 t30 -78.25 -20.32 51.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.87 -52.24 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.024 HG21 ' HB2' ' A' ' 172' ' ' ALA . 19.1 t -88.6 -58.58 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.56 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.7 t-80 -67.54 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.679 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -120.54 57.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.479 1.112 . . . . 0.0 108.02 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.54 0.209 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' O ' ' CD ' ' A' ' 3' ' ' GLU . . . -165.45 107.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 0.6 OUTLIER 174.16 152.86 0.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.211 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.01 161.77 38.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.81 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.498 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -127.06 138.37 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 7' ' ' VAL . 3.6 tt -105.65 148.27 27.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.857 HG13 ' CG1' ' A' ' 91' ' ' ILE . 14.1 t -131.99 142.93 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.838 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.19 122.15 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.97 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.582 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -84.32 101.91 12.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.15 -160.41 11.8 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 26.2 t-20 -138.3 120.57 10.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.0 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 43.07 -155.82 0.14 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 81.96 147.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.25 -10.08 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.938 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -84.72 -22.82 29.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -61.33 -34.63 75.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 21' ' ' ARG . 1.3 tpt180 -63.4 -22.22 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.938 HG22 ' O ' ' A' ' 17' ' ' TYR . 1.6 t -78.41 20.35 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.66 ' HE ' HG21 ' A' ' 162' ' ' VAL . 0.1 OUTLIER 70.64 14.38 7.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.592 ' HB2' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER -65.07 7.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 21' ' ' ARG . 9.1 t-20 -117.82 18.8 13.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.935 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -44.71 -42.55 7.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.21 -58.7 10.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.6 t80 -78.21 -21.55 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.8 t -73.82 -38.79 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.679 HG23 HD12 ' A' ' 24' ' ' LEU . 2.5 t -76.64 -53.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.018 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -56.94 -37.11 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 34' ' ' ALA . 8.3 t70 -68.7 -47.1 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -48.88 -56.69 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.8 mt -56.48 -52.38 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.759 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -60.48 -21.74 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -77.41 -36.16 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -42.79 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -84.5 15.31 3.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 67.97 -57.18 0.39 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.759 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 72.37 144.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 81.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 1.022 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -141.57 -153.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -162.14 -162.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.15 152.55 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -97.54 112.89 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.02 -59.56 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -38.15 -32.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 79' ' ' LEU . 1.1 p -94.84 -47.54 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.05 52.61 1.6 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -168.05 168.23 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 24.6 tp10 -82.99 151.39 25.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 4.2 m -143.56 115.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.022 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -117.77 111.46 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.22 126.77 31.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.82 129.07 5.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -140.11 98.75 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.806 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -167.61 -161.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 44.4 25.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 64.71 47.93 78.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.22 155.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.332 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 174.86 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -177.29 105.23 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' VAL . 2.7 t -98.87 109.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.018 ' CD1' ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -98.38 108.35 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -126.66 171.7 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.688 ' HE2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.19 127.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.667 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' C ' ' N ' ' A' ' 68' ' ' TYR . 32.6 mmt180 -84.39 -85.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.578 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -45.83 -21.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.745 ' O ' ' N ' ' A' ' 72' ' ' SER . 14.9 m-85 62.27 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.506 ' HG2' ' CA ' ' A' ' 117' ' ' GLY . 57.2 ttm -35.11 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.486 ' N ' ' HG2' ' A' ' 69' ' ' MET . 27.6 t-20 -63.99 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.379 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 1.6 mm-40 -56.8 -45.05 82.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 68' ' ' TYR . 31.7 t -67.02 -55.12 15.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.917 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.05 -54.77 3.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.962 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.73 -47.74 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.74 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.3 mm-40 -48.69 -47.72 40.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.777 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.34 -47.2 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.48 -67.06 0.1 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.453 1.096 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.962 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.47 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.41 -40.0 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.777 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.18 -50.36 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -15.76 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.689 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -77.43 -40.23 44.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.762 ' HB3' HG23 ' A' ' 85' ' ' VAL . 4.1 m-85 -79.34 -8.19 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 p 52.22 46.38 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.762 HG23 ' HB3' ' A' ' 83' ' ' TYR . 89.4 t -103.75 170.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.596 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -79.9 154.04 75.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 131' ' ' GLN . . . -77.46 0.86 21.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 6' ' ' LEU . 60.9 m-20 -99.69 -18.62 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 13.5 mt -89.22 137.27 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.857 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -137.32 118.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.838 HG22 ' CG2' ' A' ' 8' ' ' VAL . 27.5 t -103.1 131.09 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.049 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -108.58 143.09 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.034 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -158.28 177.78 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.38 143.89 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.705 ' O ' HD13 ' A' ' 137' ' ' ILE . 6.1 t0 -149.01 151.19 34.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' A' ' 146' ' ' PRO . 1.0 OUTLIER -86.67 114.59 23.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -110.85 -84.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 -68.42 0.47 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.218 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.53 163.97 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -93.78 25.28 3.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -155.66 51.29 0.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.4 tmm_? -134.72 158.19 44.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.792 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.4 pp -122.45 156.98 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.0 ttm180 -142.15 103.09 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.823 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -109.17 132.05 54.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -147.49 179.08 7.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -109.58 -54.27 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.19 20.3 21.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -35.54 -58.57 0.88 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.11 137.83 4.15 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -44.92 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' N ' ' OE1' ' A' ' 112' ' ' GLU . . . 77.41 97.66 0.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 39.44 -148.21 0.15 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.419 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 14.0 m170 64.6 110.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.64 -36.79 77.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.506 ' CA ' ' HG2' ' A' ' 69' ' ' MET . . . -61.86 -61.0 7.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 121' ' ' VAL . 11.8 mt -50.39 -42.17 53.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.515 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.2 ttm105 -66.12 -33.24 75.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -74.57 -27.29 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.917 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.96 -43.17 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.64 -44.64 89.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.428 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.81 -37.84 76.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.72 -46.67 71.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 130' ' ' PHE . 16.0 mt -79.91 -20.79 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.06 5.33 84.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.87 131.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.727 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -169.76 32.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 7.0 m-20 60.25 96.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.794 ' CE2' HD13 ' A' ' 125' ' ' LEU . 59.7 m-85 -123.61 162.42 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.549 ' HB2' HG22 ' A' ' 91' ' ' ILE . 20.2 mt-30 -92.45 152.98 19.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -142.08 148.97 39.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 1.049 ' HB ' HG22 ' A' ' 93' ' ' ILE . 3.2 t -134.25 81.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.52 145.99 24.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.034 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.1 mp -94.66 149.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.2 85.8 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.137 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.714 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -108.07 94.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 139' ' ' ARG . . . -104.58 -105.09 2.98 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER 80.54 69.04 0.14 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.54 6.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.387 1.73 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -10.46 21.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.811 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 143' ' ' ARG . . . 132.02 79.87 0.18 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 142' ' ' GLY . 0.0 OUTLIER 37.53 52.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -107.88 -79.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.654 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 33.0 m-20 -164.84 105.28 0.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.687 ' HB2' HD13 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.07 -41.05 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.87 -44.44 66.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.654 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -60.06 -38.55 83.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -75.43 -30.43 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -65.72 -39.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.77 HD22 ' CE1' ' A' ' 17' ' ' TYR . 44.5 mt -90.09 39.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.498 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 2.1 tt0 -93.07 -115.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.602 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -175.32 54.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.203 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.775 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.1 OUTLIER -69.27 26.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.602 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -24.4 -51.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.678 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.95 -69.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.775 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.07 -44.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.653 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.38 -29.69 62.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -57.21 -44.91 84.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.66 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.68 -33.56 41.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.607 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.8 mm-40 -74.58 -35.59 63.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.66 HG21 ' HE ' ' A' ' 21' ' ' ARG . 1.3 t -57.13 -53.67 62.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.88 -22.23 15.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.585 1.834 . . . . 0.0 111.066 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.607 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.2 m -62.65 -59.35 5.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.716 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -74.79 -44.19 45.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.716 ' N ' HD13 ' A' ' 165' ' ' ILE . 32.2 m -48.95 -50.44 35.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.9 tt0 -63.75 -48.58 76.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -43.14 99.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.792 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -73.01 -33.25 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -49.81 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -69.74 -40.99 75.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.064 ' HB1' HG12 ' A' ' 188' ' ' VAL . . . -64.43 -35.85 82.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 169' ' ' ALA . 22.8 m -65.64 -51.13 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.0 OUTLIER -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -66.21 -41.06 90.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.708 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.9 tt -54.0 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 56' ' ' ALA . 17.9 mt -79.49 -18.01 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -62.6 -58.86 6.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -72.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.95 -168.68 20.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.74 -17.69 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -49.77 -47.62 79.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.03 -37.29 2.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.869 ' O ' HG13 ' A' ' 188' ' ' VAL . . . -67.07 -44.77 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 1.008 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 51.4 t30 -83.79 -20.29 33.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.84 -57.28 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.064 HG12 ' HB1' ' A' ' 172' ' ' ALA . 0.8 OUTLIER -71.06 -50.6 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.61 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.09 15.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 1.008 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -94.38 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.518 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.53 0.205 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.25 92.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -160.54 135.22 5.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 161.51 38.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -132.26 135.93 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -120.23 138.32 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.855 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -126.89 143.26 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.781 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -137.35 119.21 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.65 108.92 3.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.081 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.13 109.94 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -128.88 -139.48 4.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' HIS . 18.6 t-20 -135.31 125.85 17.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 41.65 -149.37 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.83 131.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.2 -9.77 26.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.657 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.9 OUTLIER -68.61 -16.92 64.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.38 64.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.472 ' C ' ' H ' ' A' ' 21' ' ' ARG . 21.4 mmt180 -50.26 -26.94 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 19.6 p -76.34 16.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.772 ' HG3' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 76.17 12.4 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -64.06 6.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.617 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.0 t-20 -118.74 17.75 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.396 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.772 HD22 ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -40.77 -55.22 2.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.628 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -40.74 -60.2 2.19 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.417 1.073 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 3.5 t80 -75.02 -29.78 60.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -61.59 -42.95 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.581 HG22 ' SG ' ' A' ' 166' ' ' CYS . 2.4 t -77.46 -38.27 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.791 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.99 -45.24 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.2 m-20 -66.32 -44.46 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -49.52 -58.08 5.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -50.05 73.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.657 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.71 -26.52 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -70.85 -39.69 72.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -44.26 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 HD12 ' H ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -68.66 -168.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.653 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -95.14 33.81 5.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -17.22 120.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -163.82 74.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 1.042 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -140.76 -155.93 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -155.94 -164.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -125.05 125.1 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.498 ' ND1' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -57.1 109.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.49 -55.96 10.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -48.18 -51.09 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.858 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -69.6 -48.77 58.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 110.059 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.44 55.23 1.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -169.95 165.47 9.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 7.0 tp10 -76.55 149.9 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.564 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 4.7 m -147.19 112.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.042 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.27 107.98 14.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.708 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.2 125.9 44.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.53 -160.95 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -141.0 109.5 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.504 ' N ' HD23 ' A' ' 60' ' ' LEU . 4.8 m -149.32 177.41 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 1.072 ' CB ' HG21 ' A' ' 177' ' ' ILE . . . 53.79 18.48 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.28 41.21 46.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HB3' HD12 ' A' ' 5' ' ' LEU . 1.2 tpm_? 175.27 158.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 p -55.41 151.08 10.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 55' ' ' SER . 1.6 pp -140.74 122.39 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.708 HG22 HG22 ' A' ' 52' ' ' THR . 24.4 t -100.52 99.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.791 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.4 tm? -96.87 105.79 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -120.26 177.27 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HE2' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 175.06 117.62 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.706 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 -157.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 61.1 mmt-85 -79.68 -84.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.589 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.58 -18.34 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 108.318 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 23.3 m-85 61.43 -82.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -40.47 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.668 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.5 m-20 -68.04 -47.21 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.61 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 3.0 tp10 -48.46 -43.24 34.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 47.3 t -64.79 -55.19 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.861 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -38.83 -52.14 2.54 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.963 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.88 -54.01 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.268 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.61 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 31.9 mm-40 -44.48 -48.35 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.851 ' CG2' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -68.48 -46.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.77 -66.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.963 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.06 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.858 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.99 -41.32 67.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.916 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.43 -50.0 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.97 -16.85 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.69 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -76.22 -38.61 56.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.19 -2.08 39.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 51.33 45.93 27.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.762 HG22 HD21 ' A' ' 89' ' ' ASN . 0.5 OUTLIER -127.17 163.3 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.452 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -88.86 155.84 49.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.7 Cg_endo -74.98 -6.07 17.6 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -15.93 62.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.762 HD21 HG22 ' A' ' 85' ' ' VAL . 8.7 p30 -105.17 -16.33 14.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.564 HG12 HD22 ' A' ' 6' ' ' LEU . 12.6 mt -85.98 132.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.855 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.69 120.67 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.781 HG22 ' CG2' ' A' ' 8' ' ' VAL . 58.3 t -103.03 131.68 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.912 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -111.97 145.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.902 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.4 t60 -151.53 177.13 10.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.94 140.12 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.247 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 135' ' ' ILE . 6.3 t0 -149.98 169.69 20.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.671 HD12 ' CD ' ' A' ' 140' ' ' PRO . 0.6 OUTLIER -107.37 100.99 10.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' CG ' HD12 ' A' ' 99' ' ' LEU . 31.6 t0 -92.98 -72.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.594 HD12 ' CG ' ' A' ' 98' ' ' ASP . 3.6 mp -131.59 -90.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 138' ' ' GLY . 30.5 mp0 -88.78 173.47 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -87.2 55.61 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 176.92 48.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.713 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -134.53 160.79 36.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.249 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.845 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.5 pp -122.63 162.93 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.19 105.36 3.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.824 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.77 131.27 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 132' ' ' ARG . 4.8 tppt? -154.12 164.92 37.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.721 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.3 tp -95.11 -86.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.721 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -64.27 -39.71 97.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 40.3 -153.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -135.86 38.08 1.82 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.429 ' OE1' ' NH2' ' A' ' 119' ' ' ARG . 1.2 mt-10 58.02 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 114' ' ' GLY . . . -65.68 -61.04 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' ND1' ' A' ' 115' ' ' HIS . . . -52.74 -105.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.441 ' NE2' ' CE ' ' A' ' 69' ' ' MET . 2.1 p-80 178.29 -106.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' SER . 0.4 OUTLIER -65.61 -38.35 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.14 -64.11 4.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.752 ' O ' HG12 ' A' ' 121' ' ' VAL . 1.9 mt -52.81 -50.39 63.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.429 ' NH2' ' OE1' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -59.18 -33.22 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 116' ' ' ASN . 33.1 t -70.09 -29.67 66.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.861 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.76 -41.89 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 118' ' ' LEU . 16.5 t -68.28 -32.87 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.06 56.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -67.2 -44.88 78.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.916 HD21 ' CB ' ' A' ' 80' ' ' ALA . 2.7 mt -79.83 -21.02 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.37 3.31 82.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 76.17 129.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.423 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.53 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 2.0 tppt? -171.61 33.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.1 m-20 81.25 101.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -131.51 152.75 50.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.415 ' HB2' HG22 ' A' ' 91' ' ' ILE . 61.2 mt-30 -100.95 156.14 17.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.058 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -143.23 150.06 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.912 ' HB ' HG22 ' A' ' 93' ' ' ILE . 19.7 t -138.3 87.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.8 mtp180 -91.52 144.18 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.902 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.6 mp -99.3 150.26 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 98' ' ' ASP . . . -107.88 95.98 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -107.78 71.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . 105.2 -179.54 23.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.411 ' HB3' ' HA ' ' A' ' 99' ' ' LEU . 2.7 ptp180 -133.04 157.98 76.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.354 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.671 ' CD ' HD12 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.02 120.15 5.94 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -33.96 4.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.404 1.739 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 133.61 -118.3 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.533 1.146 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -91.65 34.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.9 OUTLIER -100.69 -64.46 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.902 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.7 m-20 158.34 86.65 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -61.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.84 -37.27 71.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.902 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.76 -39.54 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -25.4 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -77.59 -27.91 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.657 HD13 ' HE1' ' A' ' 17' ' ' TYR . 52.7 mt -100.18 45.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 14.2 mt-10 -78.54 -100.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.596 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 12.5 t30 154.05 47.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.821 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -71.43 28.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.42 -52.88 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.685 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -75.0 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.821 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.26 -39.96 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.664 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.1 mt-10 -74.96 -31.35 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -58.69 -44.79 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.705 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.47 -34.78 54.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.2 mm-40 -75.19 -37.02 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.714 HG21 ' NE ' ' A' ' 21' ' ' ARG . 1.8 t -53.32 -51.8 72.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.1 Cg_endo -75.07 -27.42 9.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.575 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.6 m -60.15 -58.11 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.9 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -71.98 -46.31 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.9 ' N ' HD13 ' A' ' 165' ' ' ILE . 34.9 m -51.3 -48.99 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -61.01 -45.55 94.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.582 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 3.6 mt-30 -67.51 -41.59 84.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 1.184 . . . . 0.0 110.253 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.73 -31.06 64.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -63.2 -49.19 75.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 4.5 m-20 -70.69 -41.89 71.4 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.949 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -65.24 -37.98 88.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.1 m -63.74 -49.76 71.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.529 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.7 pt-20 -56.41 -48.41 77.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.529 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.7 tp -65.9 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.564 ' O ' HD23 ' A' ' 176' ' ' LEU . 0.2 OUTLIER -53.58 -52.02 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 1.072 HG21 ' CB ' ' A' ' 56' ' ' ALA . 2.4 mt -77.99 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.427 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 6.8 tm-20 -66.63 -32.75 74.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -116.54 -71.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 176' ' ' LEU . . . -177.38 -52.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 163.5 -23.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -50.28 -47.0 83.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 17.9 Cg_endo -75.1 -37.29 2.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.557 1.819 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.803 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.6 -43.56 80.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 5.2 tt0 -67.49 -36.98 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 1.028 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 61.4 t30 -81.85 -23.3 36.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 0.2 OUTLIER -100.99 -57.75 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.949 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.46 -47.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.593 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.33 12.49 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.537 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 1.028 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -86.91 -69.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.582 ' CH2' ' HB3' ' A' ' 168' ' ' GLN . 1.6 p90 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 7.2 mtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.46 0.171 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 176.17 90.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.222 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -167.75 119.04 0.7 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.444 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.99 179.47 6.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -127.45 167.81 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.583 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -126.59 138.34 53.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.905 HG13 ' CG1' ' A' ' 91' ' ' ILE . 6.8 t -127.86 142.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.923 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.02 120.9 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.498 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -93.57 109.98 3.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.673 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.57 107.25 19.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.77 -146.57 5.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 21.3 t-20 -136.17 128.47 17.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.97 -170.51 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.643 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -34.6 120.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 166.98 143.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.14 -7.84 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.013 ' CD2' HD11 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -82.79 -18.48 40.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.3 72.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.511 ' C ' ' H ' ' A' ' 21' ' ' ARG . 22.1 mmt180 -55.89 -30.38 61.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.097 HG21 HD13 ' A' ' 151' ' ' LEU . 17.0 p -76.16 28.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.563 ' C ' ' H ' ' A' ' 23' ' ' ASN . 32.3 mmt-85 64.54 12.56 7.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 12' ' ' ASN . 2.7 t60 -68.52 11.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.662 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 t-20 -132.92 38.68 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.958 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -61.01 -45.32 95.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.99 -52.47 35.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.3 t80 -78.09 -26.15 47.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 23' ' ' ASN . 5.8 t -72.85 -39.47 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.663 ' CG2' HD12 ' A' ' 24' ' ' LEU . 40.9 t -76.9 -37.55 27.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -64.58 -47.4 78.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 m-20 -65.8 -41.81 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.54 -57.55 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 10.6 mt -57.86 -36.35 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -78.75 -14.62 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -88.95 -25.06 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -42.28 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.39 18.98 2.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.66 30.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -50.1 172.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.81 52.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.659 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.91 -164.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -151.97 -166.17 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.28 123.89 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.59 161.11 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 109.541 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -70.12 -164.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.5 ttp-105 36.86 -146.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.679 ' CB ' HD21 ' A' ' 79' ' ' LEU . 33.5 p -71.98 52.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -118.72 -55.08 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.172 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.3 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -72.72 142.92 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 27.8 m -147.29 117.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.659 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -119.12 113.66 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 125.52 29.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -120.29 99.62 0.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.118 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -111.91 130.84 55.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER 157.56 -171.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 44.09 31.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.27 47.4 91.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER 175.5 152.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 2.2 t -108.87 169.51 8.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.177 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.4 117.03 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.0 t -89.01 99.86 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.995 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -95.39 107.13 19.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.562 1.163 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 49' ' ' GLU . . . -126.86 170.85 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.45 130.06 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.704 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.99 -154.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 6.0 mmt180 -86.63 -86.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -43.7 -23.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.858 ' O ' ' N ' ' A' ' 72' ' ' SER . 18.8 m-85 63.15 -80.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.63 ' HA ' HD13 ' A' ' 10' ' ' LEU . 54.4 ttm -27.27 -92.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 69' ' ' MET . 4.6 m-20 -71.67 -33.25 68.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.9 mt-10 -60.36 -33.1 71.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.858 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -79.82 -47.55 15.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -53.16 -47.08 61.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.01 -46.98 21.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.5 tp-100 -45.7 -50.74 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.842 HG22 ' HB2' ' A' ' 80' ' ' ALA . 4.9 mt -68.85 -46.38 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.32 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.08 -45.56 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.679 HD21 ' CB ' ' A' ' 46' ' ' SER . 8.8 mt -54.95 -40.42 69.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 76' ' ' ILE . . . -67.71 -47.66 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.32 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.2 t80 -76.18 -44.41 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.463 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 19.7 m-85 -86.37 -12.84 48.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 t 56.91 53.16 8.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.851 HG12 ' ND2' ' A' ' 89' ' ' ASN . 1.2 t -100.08 157.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.581 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -84.2 153.63 62.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.607 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.9 -6.3 17.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.851 ' ND2' HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -109.84 -14.1 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 131' ' ' GLN . 3.2 mm -85.08 123.07 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.905 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -136.67 117.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.923 HG22 ' CG2' ' A' ' 8' ' ' VAL . 33.4 t -106.08 126.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.381 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.611 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 1.2 tt -105.88 144.59 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.993 ' O ' HD12 ' A' ' 135' ' ' ILE . 2.2 t60 -156.49 179.05 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.424 ' H ' ' CG ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -103.34 145.28 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -159.19 154.27 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.916 HD11 ' CG2' ' A' ' 150' ' ' VAL . 1.9 mp -85.54 103.82 14.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 139' ' ' ARG . 59.1 t0 -102.57 -72.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.37 -85.49 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.6 mt-10 -86.16 167.94 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -89.17 31.7 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -163.33 53.21 0.3 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 136' ' ' GLY . 3.7 mmm-85 -138.21 160.57 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pp -118.51 161.61 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.11 111.55 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.837 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -111.26 131.93 54.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -147.77 170.45 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.79 HD13 ' HG3' ' A' ' 131' ' ' GLN . 0.3 OUTLIER -132.21 -86.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.608 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -47.73 -31.05 7.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.93 -46.97 1.26 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.63 -172.78 54.61 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -75.45 100.66 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.62 -61.21 4.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -171.0 84.38 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.522 ' CE1' ' OD1' ' A' ' 96' ' ' ASP . 1.0 OUTLIER -151.91 133.62 14.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.622 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -60.53 -42.96 97.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.49 ' HA3' HD22 ' A' ' 10' ' ' LEU . . . -64.43 -59.03 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 122' ' ' VAL . 10.9 mt -52.32 -45.31 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -60.7 -37.01 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -31.8 69.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.657 HG13 HD12 ' A' ' 125' ' ' LEU . 2.6 t -68.74 -44.27 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 118' ' ' LEU . 11.4 t -73.12 -26.65 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.47 64.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -86.52 -45.79 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.946 HD13 ' CE1' ' A' ' 130' ' ' PHE . 22.7 mt -78.75 -22.42 46.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.22 8.09 82.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.543 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 83.8 119.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.705 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 18.5 tptt -139.29 8.54 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.729 ' O ' HD11 ' A' ' 108' ' ' ILE . 15.2 m-20 85.74 16.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.946 ' CE1' HD13 ' A' ' 125' ' ' LEU . 67.3 m-85 -49.44 152.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.79 ' HG3' HD13 ' A' ' 108' ' ' ILE . 17.9 mt-30 -88.51 157.3 18.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.57 148.99 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.6 t -133.08 85.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -86.08 141.86 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 94' ' ' HIS . 1.4 mp -96.78 141.11 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -87.38 99.1 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.408 1.067 . . . . 0.0 110.986 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.5 pp -106.16 79.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . 72.85 179.88 36.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -159.27 152.52 18.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 110.298 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.416 1.745 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -51.56 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -134.92 24.42 3.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 144' ' ' LYS . 3.5 ttt85 70.64 11.55 7.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -40.28 -51.07 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.927 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.1 m-20 178.98 92.14 0.17 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.07 81.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.927 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.11 -40.78 90.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.407 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 3.6 t80 -75.16 -20.91 59.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.916 ' CG2' HD11 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -79.71 -31.29 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 1.097 HD13 HG21 ' A' ' 20' ' ' THR . 0.4 OUTLIER -104.91 32.84 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.704 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 mm-40 -59.16 -101.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.704 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.2 t30 136.43 46.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.789 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -71.48 28.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.614 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.6 OUTLIER -18.96 -52.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.748 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -75.07 -73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.789 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.07 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.9 OUTLIER -73.52 -34.37 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 110.274 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.5 -42.25 87.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.746 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.11 -33.0 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.996 ' O ' HG22 ' A' ' 165' ' ' ILE . 2.0 tp10 -75.57 -38.11 59.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.543 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -53.53 -49.98 85.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.5 Cg_endo -74.99 -28.64 9.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.55 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -62.54 -56.12 20.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.996 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.21 -53.31 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.725 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -46.89 -48.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 0.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -61.03 -46.23 91.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.378 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 191' ' ' TRP . 1.4 tt0 -65.88 -45.97 80.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -70.83 -31.02 67.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 13.1 m-20 -68.59 -40.19 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.016 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -65.78 -36.24 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.8 m -64.37 -50.86 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -56.79 -47.02 81.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.241 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -66.21 -36.67 83.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.688 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.0 tt -52.81 -52.73 55.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 60.1 mt -74.58 -23.12 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -70.58 -30.18 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -114.71 -72.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 181' ' ' MET . . . 176.89 -46.0 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 160.26 -25.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 mt-10 -48.1 -50.23 56.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.633 ' HB2' HD23 ' A' ' 175' ' ' LEU . 18.4 Cg_endo -74.99 -36.21 2.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.801 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.16 -44.63 83.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.58 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.4 tt0 -66.67 -37.21 84.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.937 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 4.2 m-20 -81.67 -24.78 36.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.11 -58.13 2.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.016 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -63.84 -53.54 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -72.76 -17.21 61.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.937 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.29 96.13 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 168' ' ' GLN . 16.6 m95 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 108.061 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.521 0.2 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.3 118.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -179.18 90.78 0.21 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.03 168.42 24.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.2 mt -136.04 142.06 44.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -114.63 142.68 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.826 HG13 ' CG1' ' A' ' 91' ' ' ILE . 20.9 t -128.93 144.96 36.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.857 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.54 120.09 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -96.73 110.65 4.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.795 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.33 109.03 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -128.43 -144.74 5.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -135.76 125.3 16.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 127.31 10.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 44.18 -153.95 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 68.63 137.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.801 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -63.58 -12.38 32.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE1' HD13 ' A' ' 151' ' ' LEU . 0.3 OUTLIER -68.47 -17.47 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.036 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -31.67 69.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 21' ' ' ARG . 16.8 mmt85 -52.93 -36.57 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -74.32 36.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' C ' ' H ' ' A' ' 23' ' ' ASN . 20.5 mtt180 56.84 14.88 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -68.93 11.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.632 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.567 ' H ' ' C ' ' A' ' 21' ' ' ARG . 35.1 t30 -138.25 29.21 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.758 HD12 ' CB ' ' A' ' 95' ' ' ASP . 3.8 mt -50.68 -46.69 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.91 -54.61 11.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 25.5 t80 -79.32 -27.54 42.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 0.8 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.4 t -70.27 -40.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 93' ' ' ILE . 2.8 t -73.37 -52.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.976 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -53.05 -43.63 66.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.6 m-20 -66.17 -52.32 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.03 -54.26 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -56.05 -59.57 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.46 -14.6 30.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.616 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -87.76 -24.75 23.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.4 -40.87 7.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.044 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -74.39 -19.98 60.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 96.33 -35.86 4.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.556 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -28.25 146.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 93.92 2.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 1.164 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.27 -171.31 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -160.03 -164.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . . . -138.23 149.97 46.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.444 ' O ' ' O ' ' A' ' 44' ' ' LYS . 5.7 t-80 -129.37 112.18 13.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -38.49 158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 74.03 -149.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.481 ' C ' HD11 ' A' ' 79' ' ' LEU . 4.8 p -71.61 50.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.12 -57.59 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.931 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 52.02 -171.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.649 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 1.9 mt-10 -75.28 143.4 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.665 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.4 p -176.24 159.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.164 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -140.48 126.09 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.6 125.52 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.47 123.62 4.81 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.02 96.46 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 58' ' ' ARG . 51.7 p -176.75 -152.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 40.26 30.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 60.89 52.68 50.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 163.14 154.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.585 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -81.25 176.99 9.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.585 HD23 ' C ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -179.33 104.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.518 ' HB ' HD12 ' A' ' 6' ' ' LEU . 55.2 t -108.88 106.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.976 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -95.56 109.02 21.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -115.2 170.68 8.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.759 ' HZ1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 174.58 123.66 0.11 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.931 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.06 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.541 1.811 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 21.2 mmt180 -90.27 -87.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.589 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -47.51 -22.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 32.0 m-85 63.7 -79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.625 ' HA ' HD13 ' A' ' 10' ' ' LEU . 24.4 ttt -25.9 -98.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 69' ' ' MET . 8.6 m120 -68.59 -31.86 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.98 -35.4 76.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.9 t -75.81 -52.9 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -45.54 -49.34 11.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.98 -49.6 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.692 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 1.2 mm-40 -46.6 -48.94 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 27.0 mt -67.74 -44.24 85.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.5 -68.41 0.16 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.443 1.09 . . . . 0.0 110.977 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.03 -47.67 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.74 -40.32 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.752 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.78 -50.02 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -17.4 61.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.6 t80 -74.63 -44.77 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.473 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.8 m-85 -83.1 -11.05 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 56.03 51.85 11.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 2.0 t -97.29 168.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.412 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -91.05 156.5 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.604 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.2 Cg_endo -74.98 -34.94 3.46 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.12 -6.85 25.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.569 ' HA ' HD23 ' A' ' 5' ' ' LEU . 72.7 m-20 -104.82 -23.79 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 42.8 mt -88.22 134.73 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.826 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -137.64 118.88 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.857 HG22 ' CG2' ' A' ' 8' ' ' VAL . 98.5 t -103.7 124.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.615 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -107.03 144.11 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.844 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.2 t60 -154.74 -174.4 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.633 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.758 ' CB ' HD12 ' A' ' 24' ' ' LEU . 5.4 p-10 -106.19 140.5 39.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.635 ' O ' HD13 ' A' ' 137' ' ' ILE . 8.3 t0 -147.42 159.86 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.688 HD21 HG23 ' A' ' 150' ' ' VAL . 2.1 mp -98.74 104.8 16.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 139' ' ' ARG . 22.0 t0 -102.5 -73.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 9.9 mt -135.11 -96.82 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 138' ' ' GLY . 11.2 mt-10 -88.63 172.07 9.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.58 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 1.5 m-85 -92.49 82.57 4.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 159.36 40.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.3 mmm-85 -136.64 157.78 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.993 HG23 HD11 ' A' ' 165' ' ' ILE . 1.4 pp -120.64 163.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.2 tpt180 -148.77 108.9 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.908 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -108.0 125.86 52.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.6 -179.54 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.812 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.1 OUTLIER -126.92 -85.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.55 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -84.66 -88.23 0.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.84 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 177.06 127.49 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' GLY . 2.6 mp0 -38.74 121.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.713 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.49 ' CA ' ' NH2' ' A' ' 134' ' ' ARG . . . -38.77 -67.98 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.57 43.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.635 ' ND1' HD11 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -118.82 138.33 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.515 ' CB ' ' CE ' ' A' ' 69' ' ' MET . 1.3 m-20 -55.52 -33.5 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -53.46 -60.58 8.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.635 HD11 ' ND1' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.73 -42.68 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -61.82 -35.47 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' ASN . 0.3 OUTLIER -71.48 -32.23 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.815 HG13 HD12 ' A' ' 125' ' ' LEU . 2.4 t -67.74 -45.21 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 127' ' ' THR . 16.1 t -72.32 -27.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.05 -33.7 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -89.43 -45.59 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.815 HD12 HG13 ' A' ' 121' ' ' VAL . 31.0 mt -77.93 -22.28 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 127' ' ' THR . . . 74.61 2.29 63.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.63 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.6 OUTLIER 83.28 130.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.0 110.405 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.604 ' O ' ' CG ' ' A' ' 87' ' ' PRO . 8.3 tptt -152.11 17.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.812 ' O ' HD11 ' A' ' 108' ' ' ILE . 19.7 m-20 80.73 20.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.645 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 97.2 m-85 -53.59 157.2 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.791 ' HG3' HD13 ' A' ' 108' ' ' ILE . 80.1 mt-30 -95.52 158.54 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -144.28 149.27 36.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.615 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.9 t -131.51 87.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 1.6 mpp_? -89.33 145.54 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.844 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.8 mt -102.94 147.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -99.16 98.15 1.93 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.654 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.9 101.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 53.17 170.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -172.89 138.05 0.83 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.505 ' HG3' ' CA ' ' A' ' 146' ' ' PRO . 18.1 Cg_endo -75.01 124.75 8.86 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.575 1.829 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -1.6 11.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.44 1.758 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -153.16 23.34 0.78 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 144' ' ' LYS . 1.2 tpt180 58.06 14.82 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -39.97 -50.38 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.976 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.9 OUTLIER -176.33 94.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.505 ' CA ' ' HG3' ' A' ' 140' ' ' PRO . 18.4 Cg_endo -74.98 -57.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.45 77.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.976 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.73 -40.85 89.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.9 OUTLIER -75.53 -22.99 56.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.688 HG23 HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -73.99 -36.15 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 17' ' ' TYR . 30.5 mt -88.31 46.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.682 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -72.2 -107.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.682 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 8.2 t30 139.36 45.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.766 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -74.32 31.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.75 -52.7 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.724 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -74.98 -71.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.766 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -38.18 10.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.1 tt0 -75.47 -31.69 60.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.55 -43.32 93.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.716 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.02 -34.73 50.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 1.014 ' O ' HG22 ' A' ' 165' ' ' ILE . 8.6 mm-40 -76.0 -37.01 58.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.7 t -53.7 -50.85 81.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.793 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.563 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 6.4 m -63.61 -60.55 3.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.014 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.52 -54.09 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.7 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.1 m -46.61 -46.47 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -58.32 -45.45 88.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.645 ' CG ' HG13 ' A' ' 188' ' ' VAL . 1.7 tp60 -63.56 -49.06 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.93 -37.37 84.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.21 -45.67 75.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.47 -43.66 84.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.064 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -60.98 -36.9 80.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.7 m -65.01 -53.26 48.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.643 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -57.29 -35.21 69.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.643 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.37 -38.63 65.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.777 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -55.96 -42.83 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 56' ' ' ALA . 12.2 mt -78.85 -28.73 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -62.77 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -147.79 -71.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.39 -177.4 31.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.407 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 1.9 ptt? -90.9 -17.45 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.595 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -50.32 -46.3 83.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.253 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.95 -40.49 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -63.04 -39.2 94.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.557 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.886 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 20.8 t-20 -79.63 -20.23 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.4 ttt180 -96.67 -53.21 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.064 HG21 ' HB2' ' A' ' 172' ' ' ALA . 60.4 t -88.14 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.557 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 26.6 t-80 -69.8 22.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -97.93 -31.02 12.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.604 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.531 0.205 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.63 145.55 2.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.58 108.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.35 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.448 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 168.79 24.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -118.65 136.4 53.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -108.11 139.87 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.894 HG13 ' CG1' ' A' ' 91' ' ' ILE . 2.7 t -122.46 142.96 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.627 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.18 118.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.37 109.24 3.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.875 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -96.57 112.46 24.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 0.754 . . . . 0.0 109.348 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -140.48 -147.42 4.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.799 HD21 ' HB2' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -121.76 131.2 24.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.02 66.7 6.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 60.15 138.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.388 1.055 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 162.59 130.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -51.85 -26.32 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 151' ' ' LEU . 1.6 t80 -85.37 -20.07 30.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.799 ' HB2' HD21 ' A' ' 12' ' ' ASN . . . -73.41 -40.69 64.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -37.32 -45.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 36.8 p -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.599 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 150.01 -11.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.7 t-160 -53.62 -5.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.61 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.635 ' O ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -115.91 79.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.836 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -121.74 -52.41 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.517 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -41.92 -67.94 0.77 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CE1' ' NZ ' ' A' ' 64' ' ' LYS . 22.2 t80 -71.36 -26.14 62.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.786 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -64.8 -40.72 90.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.405 HG23 HD12 ' A' ' 24' ' ' LEU . 2.3 t -74.2 -52.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -58.18 -44.48 88.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 34' ' ' ALA . 46.2 t0 -62.71 -43.02 99.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.626 1.204 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.4 -59.68 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 7.2 mt -56.33 -34.71 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -76.34 -20.96 56.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -31.84 41.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -84.86 -43.79 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -18.56 48.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 94.74 -39.52 2.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.634 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . 60.21 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.372 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -139.27 14.69 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.995 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -58.05 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -158.1 -164.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.24 103.29 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -37.12 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -38.26 80.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.871 ' HB3' HD11 ' A' ' 79' ' ' LEU . 2.6 m -89.8 -43.03 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.12 54.93 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.62 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 179.46 174.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 0.713 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CD ' ' CE2' ' A' ' 40' ' ' PHE . 1.8 tt0 -87.06 149.74 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.697 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 15.4 m -139.34 119.33 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.995 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -127.06 112.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -92.12 160.54 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -153.2 -163.6 11.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 7.5 mtp180 -160.79 131.88 5.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 0.746 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 177' ' ' ILE . 1.4 m 170.95 -178.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.543 ' H ' HG23 ' A' ' 177' ' ' ILE . . . 52.28 20.14 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 73.08 42.42 43.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 mmt-85 175.84 154.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -67.44 170.3 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.498 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 2.4 pp -146.43 127.81 14.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.4 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 28.1 t -109.06 107.82 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 63' ' ' ALA . 1.2 tm? -101.57 120.91 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.614 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -125.23 161.83 26.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.652 ' NZ ' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -170.01 110.58 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.64 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.511 ' C ' ' N ' ' A' ' 68' ' ' TYR . 33.2 mmt180 -88.19 -86.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -44.08 -23.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.757 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.0 m-85 64.17 -80.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.458 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -36.0 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.55 -37.82 71.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -56.38 -40.11 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.757 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.8 t -70.37 -57.52 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.873 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.36 -52.66 3.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.993 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 0.753 . . . . 0.0 110.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.597 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 16.8 tp60 -45.1 -48.99 12.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.783 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -68.69 -46.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.22 -66.74 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.993 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.01 -46.73 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.449 1.763 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.871 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.53 -39.67 67.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.832 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.57 -50.99 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.48 -15.23 61.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.662 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.6 t80 -78.0 -43.8 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -81.57 -10.13 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 t 52.91 46.39 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.409 HG22 ' H ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -95.61 174.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.058 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -83.64 154.59 65.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.05 -30.2 7.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.36 3.79 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 1.058 HD21 ' HB3' ' A' ' 86' ' ' ALA . 61.5 m-20 -104.31 -14.59 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mm -91.72 135.1 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.894 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -135.3 117.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.433 ' HA ' HG23 ' A' ' 8' ' ' VAL . 7.3 p -104.61 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.987 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.8 OUTLIER -104.13 145.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.875 ' CE1' HD11 ' A' ' 10' ' ' LEU . 1.6 t60 -156.66 -178.88 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.563 ' OD1' HG21 ' A' ' 137' ' ' ILE . 5.7 t70 -103.25 146.13 28.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 135' ' ' ILE . 4.3 t0 -154.88 166.22 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.695 HD11 ' CG2' ' A' ' 150' ' ' VAL . 1.3 mp -100.77 106.67 18.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CB ' ' HA3' ' A' ' 136' ' ' GLY . 20.5 t0 -98.36 -73.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.429 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 4.1 mp -135.72 -94.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -88.0 169.45 11.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.404 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -84.09 96.61 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.655 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 135.47 44.97 0.1 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -133.35 158.04 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.883 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.4 pt -116.42 163.58 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.7 tpt180 -149.71 97.56 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.79 129.74 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.89 172.91 17.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.737 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.2 tp -97.49 -92.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.737 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -42.92 -78.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.31 -103.19 1.56 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -164.46 -61.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 3.5 tp10 84.56 -66.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.82 108.68 0.25 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 166.47 -87.52 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.417 ' CG ' ' CE ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -62.22 152.15 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.596 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.24 -62.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.47 -50.63 10.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 10' ' ' LEU . 11.1 mt -58.97 -43.58 91.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.536 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.6 ttt180 -66.16 -31.67 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 16.3 t -73.97 -28.42 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.873 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.66 -42.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER -67.45 -43.0 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.13 -35.99 69.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.47 -48.26 61.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.832 HD21 ' CB ' ' A' ' 80' ' ' ALA . 10.5 mt -81.73 -20.67 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 76.62 3.18 78.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.61 145.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 2.8 tmtt? 175.97 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 16.3 m-20 61.64 96.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.796 ' CE2' HD13 ' A' ' 125' ' ' LEU . 17.3 m-85 -124.9 171.93 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.551 ' CG ' HD12 ' A' ' 108' ' ' ILE . 73.2 mt-30 -107.14 154.06 21.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.46 ' CZ ' ' HD2' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -144.74 149.64 35.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.987 ' HB ' HG22 ' A' ' 93' ' ' ILE . 9.9 t -131.25 85.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 105' ' ' ARG . 4.0 mpp_? -89.02 146.44 24.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.836 HD13 ' HG ' ' A' ' 24' ' ' LEU . 3.0 mt -98.33 148.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.45 93.78 0.98 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.628 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.01 99.58 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 64.08 172.59 2.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 99' ' ' LEU . 7.9 ptt180 -154.11 151.94 25.54 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.44 0.729 . . . . 0.0 110.302 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 18.2 Cg_endo -75.0 145.94 32.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.1 Cg_endo -74.96 -19.79 17.6 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.467 1.772 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 164.9 -60.18 0.25 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 111.07 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -161.32 57.17 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.763 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.36 -53.98 2.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.989 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.2 m-20 169.37 96.04 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.248 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -65.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.502 ' O ' HD22 ' A' ' 151' ' ' LEU . . . -56.15 -41.07 74.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.989 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.13 -39.36 82.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 10.8 t80 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.695 ' CG2' HD11 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.22 -30.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.586 HD13 HG13 ' A' ' 150' ' ' VAL . 0.2 OUTLIER -96.17 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.7 mm-40 -72.83 -107.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.583 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 14.8 t30 151.75 46.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.791 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.94 28.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.14 -52.0 0.1 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.687 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.94 -67.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.791 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -42.14 34.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.9 mt-10 -72.59 -32.47 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.85 -42.99 90.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.735 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.21 -34.56 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.933 ' O ' HG22 ' A' ' 165' ' ' ILE . 12.3 mm-40 -75.83 -37.0 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -53.09 -50.44 82.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.94 -29.01 8.79 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.532 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.9 m -60.74 -59.46 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.933 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.73 -51.67 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.873 ' N ' HD13 ' A' ' 165' ' ' ILE . 52.1 m -46.92 -48.03 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 108.328 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.9 94.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.495 ' CG ' HG13 ' A' ' 188' ' ' VAL . 3.2 tp60 -64.45 -47.5 78.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.685 ' HB2' HD13 ' A' ' 104' ' ' ILE . . . -64.7 -35.63 81.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.95 93.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -68.0 -41.24 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.048 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.2 -41.08 87.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.0 m -65.18 -53.0 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.2 pt-20 -57.02 -47.72 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.98 -36.52 83.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.594 1.184 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.693 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.3 tt -56.3 -49.67 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.543 HG23 ' H ' ' A' ' 56' ' ' ALA . 15.0 mt -67.13 -30.87 50.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -57.48 -69.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -121.92 -71.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -154.11 -176.68 26.73 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.425 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 12.4 ptp -92.55 -13.95 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.401 0.707 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.1 mt-10 -53.18 -44.33 96.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.12 -39.16 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.537 1.809 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.647 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.42 -37.78 88.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.5 tt0 -72.27 -39.91 68.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.846 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 12.8 t30 -78.99 -20.08 50.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -97.91 -52.53 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.048 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.7 t -87.57 -57.02 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.575 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.5 t-80 -70.43 22.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.846 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -101.19 -36.08 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.655 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.1 p-90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.471 0.177 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.43 151.67 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER 65.96 142.69 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.02 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -130.26 137.57 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -116.43 141.64 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.989 HG12 ' CG1' ' A' ' 91' ' ' ILE . 6.9 m -133.79 141.55 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.709 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.43 125.34 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.44 105.33 3.07 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -89.35 96.01 10.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.81 -152.46 8.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 22' ' ' HIS . 1.2 t30 -134.7 126.47 18.02 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 153.51 42.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.594 1.839 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 15' ' ' ALA . . . 75.73 126.52 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.627 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -58.68 -140.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 0.806 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 57.52 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.6 ' CE2' HD11 ' A' ' 151' ' ' LEU . 3.1 t80 -71.88 -19.17 61.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.45 -38.25 68.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -41.49 -30.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.632 HG21 HD12 ' A' ' 151' ' ' LEU . 23.9 p -76.52 25.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.83 ' NE ' HD21 ' A' ' 24' ' ' LEU . 0.9 OUTLIER 67.56 10.49 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -63.97 5.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.2 m-20 -121.23 29.84 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.851 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -52.52 -64.37 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -35.41 -61.02 0.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CE1' ' OE2' ' A' ' 49' ' ' GLU . 18.2 t80 -67.35 -33.58 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 23' ' ' ASN . 2.5 t -66.01 -42.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.639 HG23 HD12 ' A' ' 24' ' ' LEU . 2.6 t -69.02 -53.29 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.011 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.96 -47.1 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.3 t70 -60.4 -36.12 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -62.86 -62.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 7.1 mt -53.97 -26.52 26.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . . . -87.97 -23.83 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -91.85 -4.98 54.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -111.98 -41.68 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.932 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -82.76 -17.07 45.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.12 -0.3 78.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.6 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -31.1 147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.37 68.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.739 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -78.6 -167.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.27 -177.38 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -154.57 81.05 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.8 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.598 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.39 -173.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HB2' HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER 85.13 -26.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.972 ' CB ' HD11 ' A' ' 79' ' ' LEU . 1.6 t 165.15 -25.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 119.66 57.19 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.74 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 178.27 -170.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.61 ' OE1' ' CZ ' ' A' ' 40' ' ' PHE . 1.7 mt-10 -76.49 143.4 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 31.1 m -155.69 118.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -119.96 110.11 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.525 HG22 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -100.05 123.51 44.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.06 -162.54 10.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 2.2 mtt85 -152.18 131.41 12.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 0.77 . . . . 0.0 110.23 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 6.6 m -170.02 -173.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 1.017 ' CB ' HG21 ' A' ' 177' ' ' ILE . . . 44.59 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 66.66 43.88 90.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.0 154.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.479 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -56.57 169.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.92 117.58 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.529 ' HB ' HD12 ' A' ' 6' ' ' LEU . 41.4 t -106.65 98.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.011 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -99.58 104.94 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -126.64 175.98 7.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -179.03 123.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.74 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.01 -158.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.495 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.0 mmt180 -80.98 -84.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.61 -18.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.344 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.697 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.9 m-85 61.27 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 10' ' ' LEU . 66.6 ttp -40.93 -96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 69' ' ' MET . 1.1 t-20 -61.8 -31.58 71.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -58.92 -45.52 90.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.637 ' N ' ' O ' ' A' ' 68' ' ' TYR . 34.2 t -68.95 -36.0 77.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.543 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -55.83 -51.53 54.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 1.057 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -82.19 -36.3 27.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.674 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.0 mm-40 -61.02 -46.11 92.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.785 ' O ' ' N ' ' A' ' 80' ' ' ALA . 76.8 mt -71.08 -50.6 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.44 -62.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 1.057 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.972 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -56.15 -39.51 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.829 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.03 -49.04 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -74.84 -18.09 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.655 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -72.67 -45.46 58.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.631 ' HB3' HG23 ' A' ' 85' ' ' VAL . 14.2 m-85 -81.62 -9.13 59.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.8 t 55.61 50.21 14.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' HB3' ' A' ' 83' ' ' TYR . 21.8 t -103.47 167.71 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.742 ' HB3' ' OD1' ' A' ' 89' ' ' ASN . . . -84.62 155.42 62.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HB2' ' C ' ' A' ' 129' ' ' ASP . 18.3 Cg_endo -75.07 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.4 1.94 14.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.605 1.191 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.742 ' OD1' ' HB3' ' A' ' 86' ' ' ALA . 29.6 m120 -107.94 -24.8 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.442 HG12 HD22 ' A' ' 6' ' ' LEU . 22.9 mt -86.87 132.41 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.989 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -137.9 120.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 10' ' ' LEU . 9.5 p -105.1 131.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.589 HD13 HD11 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -106.26 151.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.862 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.8 t-160 -154.13 172.29 17.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.577 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.531 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -103.26 141.36 36.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -155.11 170.26 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.981 HD12 ' HD3' ' A' ' 140' ' ' PRO . 0.3 OUTLIER -107.04 132.03 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 139' ' ' ARG . 14.6 t0 -126.6 -67.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.419 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 mp -133.95 -97.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.73 178.01 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -92.77 71.99 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 168.81 41.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.633 ' HD3' ' CZ2' ' A' ' 191' ' ' TRP . 10.5 mmt85 -135.71 161.68 34.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.026 HG23 HD11 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -123.63 163.28 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.28 98.26 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.85 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -108.3 142.2 38.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 167.48 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.815 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -119.6 -82.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.489 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.93 -35.13 31.58 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -42.11 97.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.36 156.13 26.71 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -39.5 -59.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.68 -51.71 4.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.581 1.176 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.51 58.8 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -130.22 127.17 39.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.552 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.27 64.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.412 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -65.41 -58.15 10.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.813 HD13 ' HD3' ' A' ' 132' ' ' ARG . 13.7 mt -55.56 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 3.8 ttt-85 -59.97 -35.19 74.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.075 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.2 t -69.66 -30.38 68.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.535 HG13 HD12 ' A' ' 125' ' ' LEU . 2.7 t -71.96 -42.3 68.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 127' ' ' THR . 12.9 t -73.79 -28.96 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.43 62.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.407 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 80' ' ' ALA . 29.3 mt -78.09 -25.09 47.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 61.05 10.94 23.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.686 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -103.45 -154.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.607 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -176.69 62.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.468 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 1.8 m-20 -149.87 16.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.728 ' CE1' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -85.67 156.77 20.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -102.89 157.84 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.813 ' HD3' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -137.28 147.41 45.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 106' ' ' LEU . 3.8 t -135.51 84.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 9.3 mtp180 -86.31 160.38 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.862 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.1 mp -112.47 154.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -109.72 96.27 0.94 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.131 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.669 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -105.85 101.85 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 61.48 179.3 3.1 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -152.61 150.77 25.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 110.347 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.981 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 143.58 29.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -75.01 -30.4 7.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.079 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 174.1 -85.37 0.08 OUTLIER Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -137.3 69.18 1.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.777 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.11 -66.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.957 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER 177.39 95.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.64 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.957 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.18 -39.15 81.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.443 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.4 t80 -75.78 -22.49 56.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.699 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -80.95 -26.7 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.699 HD22 HG12 ' A' ' 150' ' ' VAL . 1.0 OUTLIER -91.18 39.43 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.8 mm-40 -66.91 -105.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.637 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 12.1 t30 143.85 46.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.819 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.97 28.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -20.78 -52.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.472 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.708 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.91 -71.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.819 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.82 11.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.8 mt-10 -75.41 -30.66 60.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.97 -45.14 91.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.686 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.66 -34.48 53.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 1.041 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.1 mm-40 -75.38 -37.18 60.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.704 HG22 ' HE ' ' A' ' 21' ' ' ARG . 1.8 t -53.7 -52.16 69.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -26.76 10.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.617 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.3 m -64.69 -60.16 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.041 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.76 -54.36 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.762 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.7 m -45.99 -49.07 16.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -56.58 -47.31 79.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.524 ' HB3' HG13 ' A' ' 188' ' ' VAL . 19.8 mm-40 -61.44 -47.46 85.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.907 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.26 -40.55 94.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.61 70.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 44.8 m-20 -66.99 -44.79 79.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.055 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.53 -42.69 88.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.894 ' O ' HD12 ' A' ' 177' ' ' ILE . 92.1 m -61.88 -52.28 64.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.5 OUTLIER -59.67 -47.11 86.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.499 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.09 -42.72 88.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.71 ' C ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -49.22 -50.94 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 1.017 HG21 ' CB ' ' A' ' 56' ' ' ALA . 1.8 mt -76.22 -23.5 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.76 -31.94 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.223 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -158.57 -71.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.419 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -154.99 170.76 33.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.5 ptm -89.01 -18.81 26.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.79 -47.59 72.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -39.96 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.59 -37.0 85.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.533 ' HA ' ' CB ' ' A' ' 189' ' ' HIS . 1.2 tt0 -71.9 -41.17 68.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.757 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -78.89 -20.68 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -95.37 -52.39 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.055 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.9 t -89.77 -59.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.533 ' CB ' ' HA ' ' A' ' 185' ' ' GLN . 16.4 t-80 -66.8 23.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -107.58 -33.53 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.687 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 mtt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.503 0.192 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.81 123.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 5.8 pt-20 -170.66 64.26 0.44 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 -172.94 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -136.26 140.84 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -112.62 142.09 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.9 HG12 HG12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -130.36 145.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -134.96 123.6 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -95.4 113.2 4.56 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 94' ' ' HIS . 4.8 mt -89.38 108.23 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 0.718 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 68' ' ' TYR . . . -117.54 -170.61 15.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -134.03 116.33 13.37 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.896 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 78.94 -148.87 32.17 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.459 1.1 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -112.11 -73.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -53.04 -42.13 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.502 ' CD1' ' CG ' ' A' ' 12' ' ' ASN . 1.4 m-85 -83.51 -16.28 46.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.896 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -48.6 -24.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.872 ' O ' ' N ' ' A' ' 21' ' ' ARG . 14.1 mmt85 -140.62 -98.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 19' ' ' ARG . 1.2 t 51.87 -57.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.872 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.4 ppt_? 168.71 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 21' ' ' ARG . 71.1 m80 -71.45 13.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.551 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 27' ' ' VAL . 64.0 t30 -110.88 16.65 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.955 HD13 ' CG ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -60.41 -42.62 96.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.63 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -46.56 -60.62 4.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.624 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 8.4 t80 -75.84 -26.83 57.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 23' ' ' ASN . 12.2 t -71.08 -40.61 75.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.3 t -70.73 -53.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.61 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -57.24 -32.74 66.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -67.65 -48.72 65.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.15 -56.6 13.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -56.53 -50.5 71.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.52 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -71.27 -38.97 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -84.51 -43.59 14.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -169.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.54 27.21 15.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -87.91 119.59 28.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -97.98 11.46 37.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.94 ' CD1' ' HB2' ' A' ' 51' ' ' ALA . 23.0 m-85 57.51 147.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -121.8 178.38 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -158.02 136.76 11.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.1 m80 -142.45 162.71 34.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' GLY . 3.7 ttmt -80.12 -178.99 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' A' ' 47' ' ' GLY . 0.9 OUTLIER 48.1 -126.62 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.968 ' O ' HD11 ' A' ' 79' ' ' LEU . 4.3 p -78.66 13.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -66.14 -72.26 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.899 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 59.25 -166.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -85.4 148.18 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -163.71 132.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.94 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . . . -123.53 122.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.41 161.77 24.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 1.14 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.55 ' HA3' HD21 ' A' ' 60' ' ' LEU . . . -153.4 117.51 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -111.89 103.53 11.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.545 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 179.87 -170.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.981 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 57.69 17.69 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.66 34.95 55.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 178.19 157.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -83.09 167.09 18.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.55 HD21 ' HA3' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -149.42 126.1 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 6' ' ' LEU . 69.9 t -105.73 110.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.3 tm? -104.26 125.31 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -127.21 166.89 16.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.226 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.69 110.7 0.19 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.899 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.0 -156.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.511 1.795 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' C ' ' N ' ' A' ' 68' ' ' TYR . 18.0 mmt180 -82.13 -84.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.643 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.25 -19.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.323 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 72' ' ' SER . 7.4 m-85 61.81 -81.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.698 ' HA ' HD22 ' A' ' 10' ' ' LEU . 47.6 ttm -35.23 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.606 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 1.4 m-20 -68.73 -39.85 80.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.643 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 2.0 tp10 -52.67 -38.34 60.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.719 ' HB3' HD21 ' A' ' 10' ' ' LEU . 21.8 t -74.42 -45.76 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.707 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -46.3 -50.22 13.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.967 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.37 -55.34 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.228 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.631 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 2.2 tt0 -39.42 -49.75 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.727 ' O ' ' N ' ' A' ' 80' ' ' ALA . 57.2 mt -67.12 -43.67 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.404 1.065 . . . . 0.0 109.199 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.94 -68.88 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.967 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.968 HD11 ' O ' ' A' ' 46' ' ' SER . 1.7 mt -51.97 -40.07 60.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.773 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.57 -50.24 59.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -16.62 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.72 ' N ' ' O ' ' A' ' 78' ' ' PRO . 8.2 t80 -75.77 -44.11 43.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -80.63 -13.85 58.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.3 t 52.85 46.45 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 86' ' ' ALA . 12.3 p -97.75 170.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.505 ' N ' HG22 ' A' ' 85' ' ' VAL . . . -82.73 157.76 66.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.739 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -31.44 6.25 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -71.33 -3.18 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 6' ' ' LEU . 66.6 m-20 -103.37 -29.25 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.556 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 mt -89.19 134.58 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.9 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -138.01 139.21 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.413 ' HA ' HG23 ' A' ' 8' ' ' VAL . 1.1 p -118.48 122.91 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.883 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.2 pt -100.96 141.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.822 ' CE1' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -154.41 166.23 33.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.587 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.955 ' CG ' HD13 ' A' ' 24' ' ' LEU . 39.7 t0 -109.42 140.25 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.568 ' O ' HG13 ' A' ' 137' ' ' ILE . 1.5 t70 -150.98 150.42 30.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.85 HD22 HG21 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -76.65 116.0 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 14.2 t0 -114.54 -83.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.402 1.064 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.436 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -134.16 -73.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' A' ' 102' ' ' GLY . 1.6 tm-20 -87.66 162.41 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.92 29.23 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 100' ' ' GLU . . . -160.59 48.25 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.94 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp85 -130.69 164.24 25.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.807 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.912 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pp -125.24 163.37 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.5 tpt85 -149.97 98.16 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.791 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.94 138.19 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 106' ' ' LEU . 14.2 mtpt -154.43 179.32 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.565 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -106.16 -56.38 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.565 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -100.73 -63.28 0.79 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.85 92.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.64 -46.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 28.7 tt0 -43.39 -60.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 38.1 -112.33 0.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.7 54.42 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 1.4 m80 -117.93 119.52 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -64.04 -52.92 57.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.455 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -51.1 -58.35 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 122' ' ' VAL . 6.0 mt -52.02 -45.24 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -45.82 89.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -61.37 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.667 HG22 ' HA2' ' A' ' 73' ' ' GLY . 11.0 t -68.9 -44.7 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 118' ' ' LEU . 12.9 t -68.61 -25.09 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.37 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -79.0 -42.15 27.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.041 HD13 ' CE2' ' A' ' 130' ' ' PHE . 21.9 mt -78.94 -22.49 45.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.18 9.39 67.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.411 1.07 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 82.15 111.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 87' ' ' PRO . 17.9 tptt -132.61 19.63 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.551 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 94.2 m-20 66.86 21.08 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.624 1.202 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 1.041 ' CE2' HD13 ' A' ' 125' ' ' LEU . 28.8 m-85 -51.46 169.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 29.6 mt-30 -95.57 155.66 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -141.81 148.48 38.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.883 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.4 t -136.21 82.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -88.91 142.92 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 103' ' ' ARG . 5.0 mp -98.89 148.41 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -103.65 105.92 2.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 1.02 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.7 pp -118.8 71.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . -73.83 -162.51 8.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.143 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.541 ' NH2' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -177.93 155.82 1.05 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.279 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.89 3.66 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -171.25 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.77 43.02 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 52.51 20.12 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -85.84 -77.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.952 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.3 OUTLIER 177.13 96.93 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.41 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -63.85 -43.27 96.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.952 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -61.2 -42.57 98.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.6 OUTLIER -72.47 -23.58 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.85 HG21 HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -75.32 -36.25 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.893 ' O ' HD23 ' A' ' 151' ' ' LEU . 6.8 tt -114.14 35.78 4.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 9.6 tm-20 -66.87 -88.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.649 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.1 t30 152.49 50.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.685 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -66.93 25.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.649 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -25.03 -51.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.665 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.01 -67.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.685 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -43.94 38.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.71 -28.81 61.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.018 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.92 -45.39 86.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.684 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.46 -33.29 42.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.855 ' O ' HG22 ' A' ' 165' ' ' ILE . 7.9 tp10 -75.3 -36.5 61.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.175 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -56.06 -52.4 72.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.018 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.01 -25.23 12.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.596 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.5 m -61.67 -59.47 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.912 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -71.69 -50.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.817 ' N ' HD13 ' A' ' 165' ' ' ILE . 60.4 m -47.86 -46.55 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.266 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -62.96 -45.31 93.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.559 ' HG2' ' CH2' ' A' ' 191' ' ' TRP . 0.9 OUTLIER -65.1 -46.68 80.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.829 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -70.7 -36.46 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -48.1 77.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 32.5 m-20 -67.55 -40.67 84.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.638 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -65.39 -36.08 82.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.2 m -64.16 -50.48 68.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.25 -48.01 79.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.61 -40.17 88.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.703 ' C ' HD23 ' A' ' 176' ' ' LEU . 2.9 tt -49.6 -50.02 44.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.9 mm -79.08 -21.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 11.5 tm-20 -59.04 -41.59 88.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -142.33 -71.33 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -153.99 175.82 32.11 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.82 -13.13 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.384 0.697 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.15 -47.78 65.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.05 -36.63 2.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.702 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.6 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -68.91 -39.04 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 1.019 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -81.9 -23.82 36.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 1.6 ttt180 -94.68 -55.48 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.702 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -73.97 -50.71 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.6 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.15 16.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.579 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 1.019 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -75.31 -47.31 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 188' ' ' VAL . 34.4 p90 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.509 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 1.3 mpp? . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.469 0.176 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 175.31 -171.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -98.89 124.84 44.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.95 176.47 9.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.14 139.27 44.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -109.05 144.58 36.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -129.41 141.29 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -135.0 122.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -88.62 105.29 3.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.588 1.18 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -86.6 100.27 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -119.76 -165.02 12.84 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 14' ' ' GLY . 1.6 m-80 -136.98 118.93 11.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.592 0.819 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' CG ' ' HA ' ' A' ' 67' ' ' CYS . 18.1 Cg_endo -75.08 14.81 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 17' ' ' TYR . . . -60.09 -141.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -156.17 -98.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -36.59 -66.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.007 ' O ' HG22 ' A' ' 20' ' ' THR . 1.2 p90 -68.66 -23.57 64.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.66 -25.84 66.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' H ' ' A' ' 21' ' ' ARG . 3.3 tpt180 -73.96 -25.28 59.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.007 HG22 ' O ' ' A' ' 17' ' ' TYR . 5.8 t -63.15 -3.2 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.68 ' CB ' ' O ' ' A' ' 20' ' ' THR . 10.3 tpp180 101.7 9.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.24 3.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.715 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.3 t-20 -121.49 37.99 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD23 ' HG3' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -52.37 -62.63 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.503 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -38.81 -62.79 1.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.8 t80 -65.5 -30.13 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 0.727 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.9 t -69.14 -42.35 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.895 HG11 HD13 ' A' ' 93' ' ' ILE . 4.1 p -79.69 -34.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -65.38 -45.05 85.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 19.8 t0 -70.76 -43.4 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -55.12 -53.24 58.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.45 -59.69 4.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -60.46 -18.2 49.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -83.04 -26.1 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -101.11 -42.83 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -22.37 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.9 -2.83 82.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -33.02 151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -133.58 39.45 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.786 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.58 -149.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.3 -163.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.96 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -135.79 120.16 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 0.6 OUTLIER -177.27 -121.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.675 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 64.53 140.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -37.76 -31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.793 ' CB ' HD11 ' A' ' 79' ' ' LEU . 10.9 p -63.16 -53.87 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 96.82 69.46 1.0 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.901 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -165.24 -176.73 4.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.96 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 34.4 tp10 -86.62 152.6 22.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.786 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 1.1 p -172.44 156.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.707 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -144.75 128.41 17.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 126.11 35.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -128.92 110.86 1.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 55' ' ' SER . 3.0 mtp180 -115.96 108.16 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.618 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER 164.99 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.614 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 68.37 6.84 5.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.66 19.3 35.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.618 ' O ' ' O ' ' A' ' 55' ' ' SER . 3.6 tpm_? -178.9 159.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -80.91 171.86 14.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.958 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -157.87 121.86 4.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.623 HG11 HD11 ' A' ' 6' ' ' LEU . 33.7 t -108.74 98.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -95.0 112.87 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -122.88 169.35 11.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.628 ' HZ1' ' HE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 175.21 115.48 0.11 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.901 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.05 -153.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.57 1.826 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.0 mmt180 -88.23 -86.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.1 -24.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 108.385 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.2 m-85 64.31 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' TYR . 35.4 ttm -27.25 -94.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.477 ' N ' ' HG2' ' A' ' 69' ' ' MET . 10.1 t-20 -68.42 -33.86 74.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.8 mt-10 -61.7 -28.81 69.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.6 t -80.82 -51.22 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.594 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -48.88 -49.59 28.53 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.973 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.5 -46.92 36.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 0.719 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.7 tm0? -45.09 -49.81 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.772 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 mt -68.01 -44.66 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.52 -68.11 0.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.973 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.0 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.793 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.51 -41.17 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 1.014 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.86 -50.16 63.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -18.17 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.674 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.2 t80 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -79.67 -7.71 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 56.48 53.02 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 158.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.18 157.47 62.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.794 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.95 -15.36 20.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.23 -8.45 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.637 ' O ' ' N ' ' A' ' 6' ' ' LEU . 76.9 m-20 -108.28 -22.49 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.672 HG12 HD22 ' A' ' 6' ' ' LEU . 7.7 mt -87.13 136.77 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.407 1.067 . . . . 0.0 109.215 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.838 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.57 141.4 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.6 p -119.12 136.59 55.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.895 HD13 HG11 ' A' ' 28' ' ' VAL . 4.3 tt -112.7 144.32 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.56 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -153.58 172.77 16.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.557 1.161 . . . . 0.0 109.65 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.545 ' OD1' ' C ' ' A' ' 95' ' ' ASP . 0.4 OUTLIER -96.27 143.02 27.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 6.1 t0 -150.26 160.03 44.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.766 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -104.2 108.98 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 139' ' ' ARG . 3.7 m-20 -99.47 -78.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.423 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -135.72 -87.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -88.94 172.44 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -92.08 99.26 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.08 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.541 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . 135.17 48.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.857 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -134.52 155.06 51.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.79 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.988 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.9 pp -121.98 155.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -144.87 106.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.781 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.66 139.78 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 7.5 mtpt -150.33 -179.41 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.666 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -134.48 -88.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.666 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -87.71 39.68 3.1 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.87 92.52 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.26 38.82 1.19 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 2.6 tt0 57.58 104.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.68 -62.47 1.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.18 54.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.69 142.63 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -56.43 -32.33 64.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.11 -59.02 11.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.493 HD22 HG11 ' A' ' 92' ' ' VAL . 6.7 mt -55.17 -49.8 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -58.04 -36.09 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 124' ' ' ALA . 7.4 t -72.35 -30.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.594 HG22 ' HA2' ' A' ' 73' ' ' GLY . 26.7 t -66.75 -45.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 127' ' ' THR . 28.4 t -74.11 -28.86 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.85 47.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.22 -47.5 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.014 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -84.1 -24.74 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 66.35 5.76 30.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.695 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -92.84 -157.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.442 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.461 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 9.2 tptt -169.89 74.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.543 ' HB2' ' HG2' ' A' ' 87' ' ' PRO . 0.5 OUTLIER -166.48 20.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.794 ' CD2' ' HB3' ' A' ' 87' ' ' PRO . 3.8 m-85 -80.71 158.09 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.62 ' OE1' HG22 ' A' ' 91' ' ' ILE . 58.5 mt-30 -101.17 156.56 17.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.483 ' HD3' HD13 ' A' ' 118' ' ' LEU . 6.5 mtt-85 -133.71 148.03 51.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.691 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.7 t -144.17 83.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.238 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.5 OUTLIER -91.99 142.21 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.857 HG23 ' O ' ' A' ' 103' ' ' ARG . 5.1 mp -99.27 149.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.25 100.04 1.77 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.2 pp -113.39 98.84 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 60.38 174.51 1.04 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.437 1.085 . . . . 0.0 111.08 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER 171.46 132.24 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.46 ' HD2' HD12 ' A' ' 97' ' ' LEU . 18.0 Cg_endo -75.1 168.4 24.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.0 -35.18 3.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 144' ' ' LYS . . . -170.1 -132.64 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.67 73.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 142' ' ' GLY . 1.0 OUTLIER -120.02 -76.07 0.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.887 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 53.6 p-10 175.22 80.87 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.573 1.17 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.592 ' HB2' HD11 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.05 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.02 -42.13 79.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.887 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -61.1 -42.94 99.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 8.0 t80 -75.52 -23.11 56.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.49 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.17 -31.46 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.589 ' HA ' HG21 ' A' ' 20' ' ' THR . 3.9 mt -97.49 42.93 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 14.2 mm-40 -74.55 -106.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.575 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 7.8 t-20 153.27 47.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.827 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.86 28.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.576 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.94 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.362 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.698 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -75.08 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.827 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.54 -41.31 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.675 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -75.16 -29.76 60.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.73 -44.58 90.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.371 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.712 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.93 -34.13 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.67 ' O ' HG22 ' A' ' 165' ' ' ILE . 5.6 mm-40 -75.62 -36.29 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.675 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -55.28 -51.36 80.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.97 -25.89 11.49 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -61.18 -61.21 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.999 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -70.3 -45.38 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.999 ' N ' HD13 ' A' ' 165' ' ' ILE . 28.3 m -49.55 -48.51 48.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.1 tt0 -61.15 -47.07 87.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.612 ' OE1' ' CD1' ' A' ' 191' ' ' TRP . 0.4 OUTLIER -63.69 -47.74 79.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.923 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.66 -38.16 86.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.39 -41.41 80.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -67.53 -44.11 79.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.087 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.27 -42.36 86.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 16.3 m -65.22 -52.67 53.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.02 -46.33 85.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.497 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.2 tt -51.3 -50.95 58.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 56' ' ' ALA . 11.0 mm -71.39 -25.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.392 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.05 -41.33 82.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.94 -71.95 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -162.08 175.35 38.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -87.2 -22.17 25.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -43.28 -51.0 14.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.96 -38.64 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.758 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.606 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.73 -37.22 86.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.561 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.2 tt0 -72.38 -41.15 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.808 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 22.0 t-20 -78.35 -21.05 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -95.54 -52.94 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 1.177 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.087 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.8 t -88.76 -58.8 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.4 t-80 -67.24 23.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -103.59 -36.64 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.683 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.054 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.441 0.162 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.93 -64.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -172.65 91.4 0.39 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.052 . . . . 0.0 110.314 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.88 27.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -131.46 135.76 47.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.698 HD22 HG12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -117.39 140.64 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.554 HG13 HG12 ' A' ' 91' ' ' ILE . 3.0 t -121.56 141.98 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.632 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.98 123.33 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.1 115.72 5.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -101.07 95.69 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -120.07 -142.78 6.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' HIS . 4.4 m120 -138.96 128.05 14.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.687 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -9.56 20.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.7 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -53.82 -110.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 162.62 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 1.6 m120 -38.83 -61.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.573 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -76.81 -19.52 57.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.069 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . . . -74.03 -27.79 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.637 ' HG2' HG23 ' A' ' 155' ' ' THR . 2.5 tpt180 -59.24 -54.34 47.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.89 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 70.1 p -29.52 -40.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.89 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 150.51 -1.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -63.52 5.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.659 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.2 t-20 -127.68 42.84 3.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD12 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -65.6 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.81 -42.31 4.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.554 1.159 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -79.29 -34.55 42.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 0.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.6 t -67.26 -38.4 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.194 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.884 HG21 HD11 ' A' ' 93' ' ' ILE . 25.6 t -72.78 -52.52 22.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.018 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.01 -46.96 78.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 34' ' ' ALA . 18.4 t0 -60.56 -43.13 97.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.603 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -50.87 -59.92 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -52.54 -50.91 61.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.2 66.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -72.19 -38.76 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -43.87 14.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.9 -164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -92.71 -11.58 59.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.28 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 87.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.742 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -149.82 -157.82 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.646 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -117.12 177.33 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . 167.22 110.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER 174.86 -150.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.685 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' ARG . 5.9 tptp -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -34.08 -55.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.4 p -113.94 -20.53 11.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 104.63 36.24 3.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 161.63 -170.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.584 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -88.13 144.84 26.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -142.71 104.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.742 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -104.16 104.03 13.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 1.094 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.98 126.19 46.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.81 -163.23 9.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.0 ttp180 -151.33 131.11 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 0.718 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -163.25 -179.51 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 43.29 25.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.64 51.83 28.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 175.36 154.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.0 172.26 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.62 126.15 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.094 HG22 HG22 ' A' ' 52' ' ' THR . 6.6 t -109.52 101.11 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.018 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -101.21 107.45 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -121.31 172.76 7.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.48 123.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.779 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.0 -156.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.807 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.687 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -84.31 -82.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 110.233 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.514 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -47.44 -21.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 72' ' ' SER . 31.2 m-85 60.09 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 10' ' ' LEU . 37.0 ttm -30.87 -91.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 69' ' ' MET . 16.2 m-20 -70.65 -32.59 69.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -60.98 -34.64 75.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.837 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.3 t -76.37 -50.86 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.842 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.22 -50.62 16.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.42 -46.56 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -46.25 -49.42 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 80' ' ' ALA . 54.3 mt -67.75 -46.51 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.532 ' HA3' ' HB1' ' A' ' 124' ' ' ALA . . . -29.23 -67.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.96 -46.48 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.757 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.92 -40.69 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.771 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.39 -50.33 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -15.86 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.706 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.4 t80 -76.03 -42.9 46.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.8 -0.64 35.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.4 t 51.87 46.07 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 89' ' ' ASN . 0.8 OUTLIER -125.81 163.09 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.225 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -89.18 154.62 49.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.522 ' HB2' ' HB3' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.98 -5.47 16.84 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -62.35 -16.15 52.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.692 HD21 HG22 ' A' ' 85' ' ' VAL . 5.8 p30 -105.05 -18.59 14.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.698 HG12 HD22 ' A' ' 6' ' ' LEU . 32.0 mt -85.33 131.69 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.554 HG12 HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -131.51 119.19 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 ' CG2' ' A' ' 8' ' ' VAL . 62.3 t -100.47 124.22 53.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.884 HD11 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -105.27 141.59 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.004 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.2 t60 -147.15 -172.92 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.595 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.772 ' OD2' HG21 ' A' ' 137' ' ' ILE . 4.6 t70 -111.48 144.45 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 137' ' ' ILE . 1.0 OUTLIER -152.09 169.13 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.505 HD13 ' CZ ' ' A' ' 139' ' ' ARG . 1.3 pp -105.91 116.03 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' OD1' HD12 ' A' ' 99' ' ' LEU . 8.2 t0 -110.22 -83.36 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -129.38 -91.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.74 172.88 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -92.0 77.18 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.83 40.55 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.786 ' O ' HG23 ' A' ' 135' ' ' ILE . 6.4 tpp85 -131.15 161.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 0.78 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.89 ' CG2' HD11 ' A' ' 165' ' ' ILE . 1.5 pp -123.85 165.29 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.63 101.02 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.786 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.72 138.89 39.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -148.22 177.77 9.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -113.71 -82.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.529 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -121.31 39.13 2.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . -49.02 -101.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.14 -115.77 1.75 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -163.73 86.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.47 ' N ' HD12 ' A' ' 118' ' ' LEU . . . -90.49 80.08 1.41 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.471 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . 151.06 -61.09 0.41 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.582 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER 83.96 -38.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 0.762 . . . . 0.0 109.588 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -52.66 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -73.27 -27.52 67.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.907 ' O ' HG23 ' A' ' 122' ' ' VAL . 2.2 mt -64.09 -60.04 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 0.789 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.582 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.1 ttp85 -64.1 -36.15 83.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -59.99 -38.34 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.842 HG22 ' HA2' ' A' ' 73' ' ' GLY . 76.6 t -73.89 -39.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 118' ' ' LEU . 9.3 t -72.93 -28.95 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . . . -75.93 -36.97 59.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.34 -48.39 15.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 121' ' ' VAL . 5.0 mt -78.96 -21.97 46.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.648 ' O ' HG22 ' A' ' 127' ' ' THR . . . 73.72 1.73 59.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 81.11 130.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.577 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.7 mmtt -159.07 21.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.72 ' O ' HD11 ' A' ' 108' ' ' ILE . 2.1 t70 89.63 22.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.87 ' CE2' HG22 ' A' ' 122' ' ' VAL . 1.6 p90 -47.76 169.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.536 ' OE1' HG22 ' A' ' 91' ' ' ILE . 71.5 mt-30 -112.77 155.47 24.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.454 ' NE ' ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -141.58 149.34 40.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 8.2 t -140.0 85.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.0 mpp_? -92.8 143.97 25.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.004 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.4 mp -100.32 149.65 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 98' ' ' ASP . . . -103.71 105.06 2.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 1.0 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -106.67 104.5 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . -52.38 -173.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.505 ' CZ ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER 177.93 157.32 0.54 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.579 0.811 . . . . 0.0 110.316 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 149' ' ' PHE . 18.3 Cg_endo -75.05 116.46 4.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.563 1.823 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 115.31 4.24 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.586 ' O ' ' CB ' ' A' ' 143' ' ' ARG . . . -134.14 -37.12 0.23 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.586 ' CB ' ' O ' ' A' ' 142' ' ' GLY . 2.3 ttt85 91.4 -3.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.577 ' HD2' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER -75.95 -59.09 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.943 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -149.31 101.5 3.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.413 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.96 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 151' ' ' LEU . . . -62.92 -43.23 99.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.943 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -63.36 -40.97 98.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.583 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.3 OUTLIER -72.6 -23.66 60.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 1.0 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -78.21 -33.82 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 147' ' ' ALA . 1.2 mt -100.59 49.96 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 11.5 mt-10 -60.31 -102.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.566 ' C ' ' H ' ' A' ' 155' ' ' THR . 13.9 t30 159.83 47.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.701 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.9 OUTLIER -71.48 27.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.637 HG23 ' HG2' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -22.68 -52.12 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.701 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.97 -70.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 161' ' ' GLU . . . -46.49 -41.76 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.703 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -74.67 -30.08 61.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.4 OUTLIER -58.92 -46.05 88.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.726 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.94 -34.48 57.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.898 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.9 mm-40 -76.01 -37.64 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.703 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -52.29 -50.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -28.57 8.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.544 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 11.1 m -61.51 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.907 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -69.09 -50.25 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.907 ' N ' HD13 ' A' ' 165' ' ' ILE . 36.0 m -47.01 -47.04 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -44.65 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -65.23 -49.29 70.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.875 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -67.06 -35.87 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -59.51 -41.93 91.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -67.39 -44.26 79.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.035 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.15 -43.77 87.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.4 m -60.61 -51.59 68.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.71 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.521 ' HA ' ' HB2' ' A' ' 178' ' ' GLU . 0.2 OUTLIER -66.23 -42.12 89.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.8 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.8 tt -54.73 -40.9 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.566 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 42.9 mt -75.47 -29.32 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.521 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -59.04 -63.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -125.51 -71.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -154.4 -179.95 30.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.8 ptt? -89.21 -17.66 28.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -47.91 -48.25 62.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.97 -38.88 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.05 -36.62 84.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.621 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.33 -41.07 66.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.796 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 3.4 m-20 -78.2 -21.49 49.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -95.12 -52.4 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.035 HG21 ' HB2' ' A' ' 172' ' ' ALA . 35.2 t -89.05 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.621 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 23.5 t-80 -67.23 22.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 0.0 109.586 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.796 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -104.43 -34.98 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.71 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.48 0.181 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.15 137.35 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.84 80.21 0.33 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.324 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.0 -174.31 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -137.37 140.39 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -125.2 136.24 53.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.004 HG13 ' CG1' ' A' ' 91' ' ' ILE . 1.9 t -127.8 139.81 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.906 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -131.06 120.19 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.501 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.92 114.87 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.693 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -102.63 114.71 29.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.17 -154.27 8.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -133.38 119.3 15.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 17.9 Cg_endo -75.08 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.691 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 82.54 -154.36 32.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -118.2 -85.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -49.58 -54.84 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -13.49 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -51.22 -39.37 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 21' ' ' ARG . 22.0 mmt-85 -85.67 -99.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.974 ' HB ' HD23 ' A' ' 151' ' ' LEU . 11.1 p 44.85 13.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 71.98 -10.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 12' ' ' ASN . 25.4 m80 -73.45 16.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.638 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 21' ' ' ARG . 10.9 t-20 -109.94 3.39 20.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.994 HD12 HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -39.2 -63.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -31.66 -60.31 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 33.4 t80 -75.02 -33.73 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.9 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.994 HG23 HD12 ' A' ' 24' ' ' LEU . 13.3 t -69.81 -52.36 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.63 ' HB3' ' HZ1' ' A' ' 64' ' ' LYS . . . -56.67 -45.79 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 18.1 t0 -59.68 -42.4 92.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.77 -62.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.93 -48.99 78.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -60.7 -25.23 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -81.14 -27.83 35.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.06 -41.8 14.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -22.61 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.12 -26.21 18.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.77 144.61 54.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -139.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.689 ' CZ ' HD12 ' A' ' 62' ' ' LEU . 4.1 m-85 -154.15 149.2 26.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -119.35 179.01 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.36 116.29 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 178.68 -150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.657 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 84.43 157.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -40.11 78.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.592 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -68.01 -21.23 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.43 87.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.761 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -166.6 179.6 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 2.8 p -176.93 161.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -158.77 144.77 16.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.06 126.56 36.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -159.92 10.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.429 1.08 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 55' ' ' SER . 4.0 mtp180 -156.33 164.98 37.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 1.1 m 154.31 -175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.014 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.776 ' HA ' HG23 ' A' ' 177' ' ' ILE . . . 38.17 30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 63.36 52.27 48.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.167 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 172.01 160.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.428 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.1 p -62.92 173.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -155.66 125.45 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.2 t -108.32 107.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.778 HD11 ' HZ3' ' A' ' 64' ' ' LYS . 3.0 tm? -103.6 109.08 20.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.535 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -119.64 170.3 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.778 ' HZ3' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 177.35 120.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.775 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.1 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 33.2 mmt180 -85.02 -82.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.18 -21.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 59.79 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.693 ' HA ' HD13 ' A' ' 10' ' ' LEU . 52.3 ttm -25.18 -89.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' N ' ' HG2' ' A' ' 69' ' ' MET . 7.0 m120 -72.22 -37.83 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.3 tt0 -58.49 -31.25 67.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.901 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.4 t -79.39 -57.84 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.94 -50.38 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.971 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.59 -46.75 45.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.5 tt0 -43.17 -51.89 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.236 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 55.2 mt -67.67 -46.39 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.971 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.97 -46.24 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.53 -40.99 65.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.68 -50.07 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -18.02 61.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.702 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -74.18 -45.08 50.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.34 -15.02 41.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 p 54.96 50.95 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.589 HG22 ' OD1' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -97.99 161.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -83.87 155.29 64.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.668 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -5.25 16.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.07 -15.23 58.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.381 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -109.21 -14.28 14.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.43 124.79 41.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.004 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -138.5 116.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.906 HG22 ' CG2' ' A' ' 8' ' ' VAL . 4.5 t -107.4 132.54 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.766 HD11 HD11 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -112.77 143.64 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.794 ' O ' HD12 ' A' ' 135' ' ' ILE . 2.2 t60 -149.61 168.73 22.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.431 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -100.32 144.22 29.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' CG ' ' CE1' ' A' ' 115' ' ' HIS . 3.5 t0 -150.91 167.55 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.35 104.95 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -98.25 -81.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 -72.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 138' ' ' GLY . 13.3 tt0 -85.87 163.15 18.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -93.79 43.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.44 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -175.88 52.54 0.12 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.829 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.5 mmm-85 -133.95 156.67 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 165' ' ' ILE . 1.6 pp -118.15 161.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.25 105.32 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.845 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.6 129.91 53.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.614 1.196 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -151.54 -179.43 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.756 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -134.59 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.575 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.11 -68.91 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -67.42 123.1 19.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 154.04 171.02 20.64 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 64.86 152.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.792 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.34 -63.28 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -94.52 -49.42 2.36 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.475 ' CE1' ' CG ' ' A' ' 96' ' ' ASP . 18.5 m170 -42.92 127.19 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.727 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.39 -47.3 76.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.28 -57.25 20.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.567 1.167 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.403 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 10.8 mt -53.31 -42.69 66.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.491 ' O ' HG12 ' A' ' 122' ' ' VAL . 4.6 ttm180 -59.78 -38.02 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.1 t -71.67 -30.01 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.033 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 1.077 HG13 HD12 ' A' ' 125' ' ' LEU . 2.3 t -69.59 -44.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.606 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.89 -37.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.74 -37.31 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.64 -50.44 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.077 HD12 HG13 ' A' ' 121' ' ' VAL . 20.0 mt -77.72 -21.67 51.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.606 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.24 1.39 63.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 122' ' ' VAL . 0.4 OUTLIER 77.42 118.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 56.6 mmtt -141.02 8.53 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.756 ' O ' HD11 ' A' ' 108' ' ' ILE . 3.0 m-20 92.97 20.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.757 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 54.8 m-85 -54.84 150.46 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.428 ' C ' ' HG2' ' A' ' 132' ' ' ARG . 15.5 mt-30 -84.35 157.31 21.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 9.1 mtt180 -141.84 150.83 42.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 133' ' ' VAL . 3.8 t -137.48 84.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.2 mtp180 -87.99 144.15 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.829 HG23 ' O ' ' A' ' 103' ' ' ARG . 4.9 mp -98.77 148.42 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -109.73 96.18 0.93 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.611 1.194 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.542 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -114.08 62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.4 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . -57.95 -160.77 0.03 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.597 ' HD2' HG23 ' A' ' 150' ' ' VAL . 0.0 OUTLIER -175.89 157.13 1.74 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.235 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.545 1.813 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 144' ' ' LYS . . . 144.08 44.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 142' ' ' GLY . 1.3 tpt180 37.8 31.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 142' ' ' GLY . 0.1 OUTLIER -102.64 -60.87 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.904 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.6 OUTLIER 172.0 95.65 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.566 1.824 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -58.14 -41.88 84.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -61.18 -43.94 98.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.3 OUTLIER -68.34 -25.71 65.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.597 HG23 ' HD2' ' A' ' 139' ' ' ARG . 0.4 OUTLIER -77.8 -30.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.974 HD23 ' HB ' ' A' ' 20' ' ' THR . 1.2 mt -111.16 34.85 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 1.2 mm-40 -68.4 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.632 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.7 t-20 157.48 51.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.817 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -67.17 27.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.632 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.13 -51.87 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.716 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.817 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.15 -41.39 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.394 1.059 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.585 ' O ' ' N ' ' A' ' 162' ' ' VAL . 13.9 mt-10 -73.42 -32.26 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.033 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.62 -42.26 87.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.711 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.31 -34.45 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 1.024 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.4 mm-40 -74.71 -36.51 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -55.42 -51.93 75.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.033 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.97 -25.36 12.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -65.07 -61.63 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.024 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -65.9 -54.5 26.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.733 ' N ' HD13 ' A' ' 165' ' ' ILE . 76.8 m -46.01 -44.8 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 108.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -59.48 -45.19 92.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.591 ' HG3' ' N ' ' A' ' 169' ' ' ALA . 1.7 pt20 -66.34 -41.89 88.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.62 -37.82 80.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.38 -37.48 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.9 m-20 -67.25 -45.02 77.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.083 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.78 -41.4 82.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.7 m -65.02 -51.87 59.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.524 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -55.93 -48.62 75.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.524 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -62.53 -38.6 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.3 tt -54.51 -46.35 73.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 56' ' ' ALA . 8.8 mt -67.83 -34.18 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.37 -48.13 77.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -144.88 -71.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.459 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -157.67 177.03 34.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 21.1 ptp -86.45 -19.15 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 0.731 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.4 mt-10 -40.96 -50.72 7.6 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.95 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.51 1.795 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.51 -39.81 94.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.552 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -71.65 -39.91 70.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.092 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.963 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 53.7 t30 -78.78 -22.01 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.81 -53.67 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.083 HG21 ' HB2' ' A' ' 172' ' ' ALA . 40.5 t -87.02 -58.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -70.43 22.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.963 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -89.18 -49.97 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.592 ' CZ2' ' HG2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 tpp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.527 0.204 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.25 -64.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.11 92.36 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.05 130.73 13.48 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.437 HD11 ' NE ' ' A' ' 58' ' ' ARG . 0.9 OUTLIER -133.87 141.37 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -109.17 145.8 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.961 HG12 ' CG1' ' A' ' 91' ' ' ILE . 15.8 m -131.77 139.26 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -127.84 124.88 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -91.74 110.18 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.844 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -93.29 99.22 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.61 -147.1 8.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.554 1.159 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.569 ' ND2' ' CG ' ' A' ' 22' ' ' HIS . 3.0 m-20 -136.03 120.37 12.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.01 114.78 4.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.427 1.751 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 55.12 -154.99 9.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 71.29 134.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 0.776 . . . . 0.0 109.285 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -65.07 -11.95 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.795 ' CD1' HD22 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -70.26 -17.69 63.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.04 70.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -49.95 -30.42 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -78.42 28.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.758 ' NH1' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER 63.59 15.58 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.7 ' CE1' HD21 ' A' ' 151' ' ' LEU . 1.9 t-160 -66.07 8.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.4 t-20 -129.76 38.17 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -59.93 -42.91 94.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.34 -55.59 21.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -78.4 -22.92 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.758 HG21 ' NH1' ' A' ' 21' ' ' ARG . 7.0 t -74.9 -38.51 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.543 HG11 HD12 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -76.85 -42.35 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.06 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.79 -44.96 91.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.4 t70 -67.56 -37.65 82.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -54.63 -56.96 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.39 -48.03 80.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.779 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -70.87 -41.15 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -80.06 -43.24 22.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.06 -166.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.76 -16.56 70.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 33' ' ' ALA . . . 39.07 101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -142.69 31.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HA ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -82.53 -163.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 111.055 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -151.07 -166.63 2.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 1.056 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -173.0 144.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ALA . 16.9 t-80 -143.24 177.28 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.554 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -85.87 -165.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' LYS . 14.0 ttt85 36.22 -143.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.486 ' C ' HD11 ' A' ' 79' ' ' LEU . 40.7 p -70.5 53.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -130.67 -66.86 0.1 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 47.39 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.8 mt-10 -73.6 142.96 46.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 33.3 m -153.95 120.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.624 ' HA ' ' HB2' ' A' ' 40' ' ' PHE . . . -119.55 110.08 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.75 125.02 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.42 120.41 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 118.45 11.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' GLY . 82.8 p -179.11 -172.45 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.33 31.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 59.35 57.03 21.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HB2' ' CG2' ' A' ' 177' ' ' ILE . 0.0 OUTLIER -174.5 156.08 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.91 168.05 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 60' ' ' LEU . 3.5 pp -171.39 111.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.598 HG11 HD11 ' A' ' 6' ' ' LEU . 7.1 t -103.92 99.61 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.06 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.4 tm? -89.43 110.05 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -127.52 171.06 11.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HG2' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER 177.99 123.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.624 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.98 -153.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.431 1.753 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 26.5 mmt85 -81.36 -84.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.704 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.08 -17.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.664 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.629 ' CA ' HD13 ' A' ' 10' ' ' LEU . 18.8 ttm -37.89 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.6 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 6.7 t-20 -60.85 -38.84 86.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.704 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 1.6 tp10 -52.64 -45.35 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 68' ' ' TYR . 46.2 t -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.933 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.737 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.83 -51.73 8.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.987 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.95 -54.89 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.59 ' O ' ' CG ' ' A' ' 79' ' ' LEU . 10.3 mm-40 -42.66 -48.66 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.73 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.4 mm -67.25 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.09 -69.49 0.15 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.571 1.17 . . . . 0.0 111.064 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.987 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.97 -40.01 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.809 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.12 -50.46 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -15.95 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.3 t80 -75.67 -44.17 43.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.97 2.75 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.3 m 51.77 46.5 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 86' ' ' ALA . 27.4 t -118.37 155.43 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -84.06 158.14 61.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.55 ' HB2' ' HB3' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.09 -22.26 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -8.14 3.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.7 m-20 -106.13 -19.49 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 34.3 mt -86.87 134.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.961 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -133.55 120.13 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 2.5 p -102.24 123.47 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.543 HD12 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -101.77 140.36 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.055 ' O ' HD12 ' A' ' 135' ' ' ILE . 7.6 t-160 -145.4 176.67 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.469 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -108.57 142.13 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.733 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -157.0 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.088 HD22 HG23 ' A' ' 150' ' ' VAL . 2.5 pt? -104.97 116.11 31.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 138' ' ' GLY . 36.4 m-20 -102.13 -80.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 138' ' ' GLY . 24.2 mt -129.13 -79.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 138' ' ' GLY . 37.7 mp0 -90.29 168.56 11.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CE1' HG12 ' A' ' 137' ' ' ILE . 6.2 m-85 -92.39 85.39 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.34 46.8 0.03 OUTLIER Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 135' ' ' ILE . 1.6 tmm_? -133.59 154.49 50.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.886 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.4 pp -118.84 154.49 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 134' ' ' ARG . 17.5 ttt180 -137.49 104.51 5.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.91 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.38 125.67 51.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.073 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -141.95 161.98 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -108.03 -54.66 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.523 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -83.24 -44.84 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 36.38 -127.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.4 89.13 0.1 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.53 -47.83 1.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.01 109.89 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.25 61.81 0.64 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.451 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 172.85 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 0.729 . . . . 0.0 109.601 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 120' ' ' SER . 7.2 m120 -72.88 -41.92 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -66.52 -55.13 19.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.055 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 122' ' ' VAL . 15.7 mt -57.08 -52.59 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.8 m -70.86 -30.78 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.737 HG22 ' HA2' ' A' ' 73' ' ' GLY . 53.6 t -71.63 -41.98 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 127' ' ' THR . 11.5 t -73.62 -29.54 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.54 -36.61 63.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -76.63 -46.68 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.809 HD21 ' CB ' ' A' ' 80' ' ' ALA . 6.3 mt -78.87 -22.33 46.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.7 4.5 61.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.723 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.9 t -138.28 161.18 37.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.602 ' HD3' ' C ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -121.55 21.98 10.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -72.9 -3.31 24.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.607 ' CE2' ' HG3' ' A' ' 132' ' ' ARG . 2.3 p90 -82.0 176.53 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.465 ' HG2' ' HB ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -124.93 165.36 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.607 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -142.5 150.44 40.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 106' ' ' LEU . 11.5 t -124.29 85.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.2 mtp180 -86.96 144.62 26.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.055 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -98.54 148.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.5 ' HA3' ' HB2' ' A' ' 98' ' ' ASP . . . -112.84 96.65 0.83 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.733 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -107.86 101.7 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . 83.39 171.81 48.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.76 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -50.16 169.71 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.256 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.603 ' HD2' ' HB2' ' A' ' 139' ' ' ARG . 18.1 Cg_endo -75.08 160.66 39.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.478 ' CA ' ' HB3' ' A' ' 146' ' ' PRO . 18.2 Cg_endo -74.98 127.57 10.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.568 1.825 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.441 ' N ' ' HB3' ' A' ' 146' ' ' PRO . . . 146.4 67.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -170.9 -153.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 143' ' ' ARG . 1.5 ptmt -28.54 -50.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.932 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 0.1 OUTLIER -170.7 108.6 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.478 ' HB3' ' CA ' ' A' ' 141' ' ' PRO . 18.0 Cg_endo -75.06 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.473 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -57.36 -38.49 74.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.932 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -67.12 -42.25 84.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.31 -19.89 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 1.088 HG23 HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -79.52 -37.43 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.249 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' A' ' 17' ' ' TYR . 2.8 mt -106.73 51.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.4 mt-10 -66.27 -104.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 16.7 t30 150.78 46.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.817 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -72.21 28.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.598 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -20.47 -53.06 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.691 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -71.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.817 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -40.44 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.747 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.8 mt-10 -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.44 -45.5 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.721 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.65 -35.65 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.2 mm-40 -76.82 -36.1 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.747 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.1 t -52.32 -50.71 78.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -30.47 7.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.494 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 14.6 m -56.54 -51.91 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.987 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -81.67 -46.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.987 ' N ' HD13 ' A' ' 165' ' ' ILE . 23.6 m -49.01 -48.59 43.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 8.6 pt-20 -68.78 -47.11 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.954 ' HG2' HG13 ' A' ' 188' ' ' VAL . 6.1 tt0 -60.19 -48.87 79.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.886 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -64.68 -41.52 96.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.37 -38.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 6.2 m-20 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.075 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.31 -42.11 81.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -66.07 -53.92 32.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.29 -43.3 83.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -67.35 -41.43 85.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.8 tt -52.75 -43.49 65.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 49.2 mt -77.39 -27.66 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -67.2 -31.77 72.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -155.56 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -162.43 173.77 38.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.426 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 0.9 OUTLIER -85.49 -24.11 27.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 0.753 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -39.49 -51.57 4.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.98 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.53 -39.51 93.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.576 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.0 tt0 -72.49 -39.56 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.746 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 57.0 t30 -79.06 -20.07 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 183' ' ' PRO . 3.8 ttt180 -97.28 -53.21 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.075 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.1 t -87.54 -57.58 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.576 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -69.11 23.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.45 60.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.556 ' CD1' ' OE1' ' A' ' 168' ' ' GLN . 23.6 m-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.512 0.196 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . . . -138.04 113.95 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -165.96 68.16 1.13 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.543 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.97 163.44 35.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.396 1.735 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.82 164.72 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.568 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -106.8 144.19 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.842 HG13 ' CG1' ' A' ' 91' ' ' ILE . 15.0 t -125.6 143.55 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.86 120.06 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.74 110.22 3.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.057 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.67 115.48 28.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.566 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.33 -144.39 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.01 116.43 11.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.37 6.69 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -67.09 -120.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 173.06 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -46.64 -43.18 17.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.857 ' CE2' HD21 ' A' ' 151' ' ' LEU . 5.0 t80 -88.37 -19.14 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.72 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 21' ' ' ARG . 6.2 tpt180 -58.18 -12.94 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 17' ' ' TYR . 48.9 p -77.24 21.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.804 ' NH1' HG22 ' A' ' 162' ' ' VAL . 1.6 mmm180 65.48 7.49 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -68.25 10.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.586 ' H ' ' C ' ' A' ' 21' ' ' ARG . 62.5 t30 -119.44 11.72 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.888 ' HB3' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -40.8 -46.13 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -49.18 -58.74 7.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 2.7 t80 -79.9 -19.88 47.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 0.785 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.1 t -75.24 -42.35 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 24' ' ' LEU . 1.8 t -78.84 -36.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.625 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.62 -44.3 94.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 26' ' ' PHE . 1.8 m-20 -68.29 -46.86 69.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.83 -56.42 12.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.07 -49.56 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.97 -45.04 96.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.69 -40.01 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -47.54 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -173.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -85.65 41.4 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.749 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -29.63 119.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.58 35.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HA ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.1 -164.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -152.74 -165.72 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.98 52.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.14 109.95 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.545 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -72.53 -60.71 2.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.235 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -36.81 -45.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.679 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -86.01 -49.89 7.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.5 65.57 0.9 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.57 170.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.48 148.01 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.552 HG12 ' HB2' ' A' ' 63' ' ' ALA . 2.3 m -142.29 119.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.624 ' HA ' ' HB2' ' A' ' 40' ' ' PHE . . . -120.91 107.12 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 1.004 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -100.46 125.42 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.98 -161.93 8.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -149.19 169.82 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.222 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER 157.69 172.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 46.02 22.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 70.18 49.69 31.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -179.38 152.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.543 ' CB ' ' HB3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -79.0 171.8 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.2 129.57 5.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.004 HG22 HG22 ' A' ' 52' ' ' THR . 32.7 t -106.63 102.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -101.03 113.26 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.552 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -127.08 175.06 8.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.25 122.39 0.21 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.697 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 -154.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.5 ' C ' ' N ' ' A' ' 68' ' ' TYR . 7.4 mmt180 -84.74 -87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -45.85 -21.44 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.878 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 62.49 -81.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.641 ' N ' HD13 ' A' ' 10' ' ' LEU . 7.8 ttm -29.18 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' N ' ' HG2' ' A' ' 69' ' ' MET . 56.9 m-20 -64.57 -35.88 82.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.4 mt-10 -59.69 -30.23 68.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.878 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.4 t -77.26 -57.64 3.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.858 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -43.78 -50.72 7.15 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.507 1.129 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.27 -48.57 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.385 0.697 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 3.8 tp60 -41.55 -50.83 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.744 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.7 mt -68.26 -44.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.0 -67.5 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.91 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.446 1.761 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.3 -40.74 64.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.744 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -48.95 65.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -17.43 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.746 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -73.36 -45.79 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.541 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 27.8 m-85 -89.0 -15.85 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.4 p 55.27 53.07 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.058 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.632 HG12 ' H ' ' A' ' 86' ' ' ALA . 2.7 t -101.42 176.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.632 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -80.62 124.76 81.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.944 ' O ' HG22 ' A' ' 90' ' ' ILE . 18.5 Cg_endo -74.97 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.41 1.12 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.781 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-20 -116.23 1.88 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.944 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -93.27 128.16 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.842 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -126.14 114.98 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.462 ' HA ' HG23 ' A' ' 8' ' ' VAL . 9.0 p -103.42 124.96 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.536 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -108.37 148.38 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.057 ' CE1' HD11 ' A' ' 10' ' ' LEU . 1.4 t60 -157.11 169.23 25.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.523 ' OD2' ' CB ' ' A' ' 21' ' ' ARG . 11.5 t0 -100.68 143.56 30.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.6 t0 -157.74 154.32 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.1 pt? -86.61 96.77 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 139' ' ' ARG . 64.6 t0 -89.9 -70.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.439 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -132.68 -94.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -90.5 171.57 9.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 149' ' ' PHE . 1.6 m-85 -92.52 105.26 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.627 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 126.77 39.97 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.777 ' O ' HG23 ' A' ' 135' ' ' ILE . 2.0 mmm-85 -133.04 156.82 46.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.786 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.8 pp -120.33 161.54 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.0 ttm180 -149.77 105.64 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.82 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.75 131.71 51.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.43 179.09 8.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.747 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.4 tp -120.89 -89.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.747 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -65.17 -50.29 57.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.05 76.52 0.73 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -138.53 -160.72 8.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 49.38 77.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.05 54.63 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.24 60.26 2.42 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.437 ' NE2' ' OD2' ' A' ' 96' ' ' ASP . 2.0 m-70 -130.45 118.55 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 109.586 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -58.39 -37.33 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.5 -64.89 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.708 ' O ' HG12 ' A' ' 121' ' ' VAL . 6.2 mt -53.69 -50.11 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.1 ttt180 -58.71 -31.1 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.2 m -75.19 -28.17 59.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.858 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -70.87 -43.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.388 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.694 HG23 ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -67.6 -46.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -68.51 -38.69 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -64.63 -43.39 93.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -80.33 -23.59 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 65.16 7.88 33.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.97 -153.38 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -173.66 35.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 11.1 m-20 -135.7 97.76 3.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CE1' HG23 ' A' ' 122' ' ' VAL . 19.1 p90 -175.72 -179.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -127.55 164.45 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.518 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -144.42 150.66 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.621 HG22 ' HB2' ' A' ' 106' ' ' LEU . 17.5 t -121.76 89.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mtp85 -88.28 143.29 27.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.888 HD13 ' HB3' ' A' ' 24' ' ' LEU . 4.9 mp -102.94 147.57 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -99.71 104.66 2.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.61 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.3 pp -115.14 89.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 67.63 -179.02 17.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -164.25 161.15 16.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.747 . . . . 0.0 110.287 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.69 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.95 117.74 5.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.557 1.82 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -90.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.425 1.75 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -154.53 97.07 0.17 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 39.04 56.4 2.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.82 -77.73 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.97 77.98 0.19 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.3 Cg_endo -74.96 -63.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 110.951 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.68 69.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.54 92.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 101' ' ' PHE . 1.6 t80 -77.31 -27.25 52.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.548 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -68.98 -30.45 46.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.857 HD21 ' CE2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -81.96 9.43 8.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.641 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 tp10 -106.59 -119.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.641 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 5.5 t30 144.42 145.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.84 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -78.49 39.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -12.01 -56.28 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.741 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 17.9 Cg_endo -75.08 -82.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.84 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -43.94 -26.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.892 ' HG2' HG23 ' A' ' 162' ' ' VAL . 2.0 tt0 -77.71 -40.95 39.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.015 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.35 -42.07 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.588 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.06 -35.56 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.668 ' O ' ' N ' ' A' ' 165' ' ' ILE . 3.0 tt0 -79.06 -35.0 43.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.892 HG23 ' HG2' ' A' ' 158' ' ' GLU . 1.1 t -52.16 -54.06 45.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.015 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.0 Cg_endo -75.03 -34.93 3.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.801 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 17.7 m -71.9 -40.34 68.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.668 ' N ' ' O ' ' A' ' 161' ' ' GLU . 4.3 tp -76.06 -57.83 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.561 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 69.6 m -45.97 -48.48 16.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.18 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 4.1 tt0 -61.16 -47.79 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.669 ' HB3' HG13 ' A' ' 188' ' ' VAL . 3.0 mm100 -62.2 -48.57 79.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.786 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.63 -38.48 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.32 74.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 m-20 -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.903 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.72 -39.28 84.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.8 m -62.39 -51.81 66.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -55.92 -48.03 76.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.57 HD23 ' HG2' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -64.61 -34.73 78.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 181' ' ' MET . 7.1 tp -54.65 -54.52 40.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.6 mm -72.47 -22.93 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.232 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -69.16 -72.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -114.4 -73.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.54 -159.57 9.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.664 ' HB3' HD11 ' A' ' 176' ' ' LEU . 1.0 OUTLIER -105.59 -20.37 13.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.933 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.564 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -47.81 -48.14 61.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.57 ' HG2' HD23 ' A' ' 175' ' ' LEU . 18.3 Cg_endo -75.07 -38.57 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.69 -40.33 92.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.562 ' O ' ' C ' ' A' ' 189' ' ' HIS . 1.8 tt0 -69.9 -39.57 76.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.976 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.9 t-20 -79.9 -22.23 43.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.9 ttt180 -93.37 -53.81 3.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.903 HG21 ' HB2' ' A' ' 172' ' ' ALA . 79.2 t -88.47 -57.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.562 ' C ' ' O ' ' A' ' 185' ' ' GLN . 41.2 t-80 -70.83 14.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.976 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -68.1 -32.92 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 191' ' ' TRP . 5.1 p-90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 107.975 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.515 0.197 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.73 88.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 177.49 95.18 0.13 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 110.27 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.22 42.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -129.61 137.98 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.784 HD22 HG12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -107.34 145.83 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.387 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.889 HG12 HG12 ' A' ' 91' ' ' ILE . 10.0 m -135.66 140.62 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.805 HG23 HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -130.88 125.18 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -90.71 107.92 3.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -88.05 94.95 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.4 -151.11 9.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -134.49 126.55 18.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 -0.19 9.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.74 -150.37 0.21 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.563 1.164 . . . . 0.0 111.055 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.96 -78.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 0.796 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -48.92 -35.78 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.601 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -94.27 -19.29 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.55 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -46.5 -24.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 152' ' ' GLU . 12.1 p -77.11 30.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.611 ' C ' ' H ' ' A' ' 23' ' ' ASN . 2.2 mtt180 63.55 10.46 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.471 ' ND1' ' CD2' ' A' ' 151' ' ' LEU . 0.9 OUTLIER -64.54 7.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.611 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.3 t-20 -122.92 19.6 10.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.742 HD13 HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -37.58 -47.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.518 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.09 -58.31 10.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 8.9 t80 -77.23 -20.83 54.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -75.0 -42.06 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.742 HG23 HD13 ' A' ' 24' ' ' LEU . 4.0 t -73.39 -48.54 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.37 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.965 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.21 -45.42 79.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -61.08 -48.95 79.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -49.87 -59.88 3.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.1 mt -51.75 -50.13 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -61.08 -44.72 96.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -49.49 -40.13 36.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -52.89 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.87 -174.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -86.31 41.06 3.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.796 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -28.74 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.41 75.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.985 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -141.0 -156.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -157.21 -164.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.79 125.46 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -59.62 110.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -68.77 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -40.16 -39.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.565 ' OG ' HD11 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -82.57 -50.69 8.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.47 54.49 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HB2' ' OE1' ' A' ' 75' ' ' GLN . . . -167.96 165.82 13.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.7 mt-10 -80.1 144.66 32.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 3.8 m -141.41 113.68 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.985 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -116.02 111.47 20.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.33 125.94 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.47 125.65 4.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -140.91 96.15 2.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -166.76 -160.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.947 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.623 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 43.14 27.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . 63.18 43.87 97.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.168 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 178.41 151.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.313 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.684 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -80.79 179.35 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -178.02 112.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.629 HG11 HD11 ' A' ' 6' ' ' LEU . 55.8 t -101.99 103.68 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.965 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tm? -97.42 110.35 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -128.7 171.38 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -179.16 123.47 0.24 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.652 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.09 -156.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.498 ' C ' ' N ' ' A' ' 68' ' ' TYR . 25.0 mmt180 -82.21 -84.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.675 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.02 -17.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.7 m-85 60.95 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.9 ' HA ' HD13 ' A' ' 10' ' ' LEU . 31.1 ttm -38.42 -96.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 69' ' ' MET . 43.8 m-20 -59.87 -34.55 73.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.675 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.8 OUTLIER -56.87 -45.17 82.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.7 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -65.02 -55.27 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.885 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -41.2 -53.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.19 -46.87 21.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 0.811 . . . . 0.0 110.296 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.709 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.9 mm-40 -49.24 -47.5 46.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.813 HG21 HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -67.37 -48.45 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.386 1.054 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.01 -65.81 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.04 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' OG ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.93 -50.76 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -16.13 61.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -75.3 -44.76 43.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.9 m-85 -81.36 4.01 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.6 t 50.62 45.03 27.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.507 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 22.2 t -120.92 151.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.55 155.67 68.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HA ' ' HB ' ' A' ' 90' ' ' ILE . 18.6 Cg_endo -75.0 -9.91 20.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.39 55.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.682 ' O ' ' N ' ' A' ' 6' ' ' LEU . 2.2 p30 -107.09 -19.47 13.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.784 HG12 HD22 ' A' ' 6' ' ' LEU . 14.6 mt -87.04 130.89 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.889 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -133.19 142.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 8' ' ' VAL . 46.2 t -119.59 123.72 71.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.34 141.74 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.923 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.9 t60 -148.95 -179.92 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.28 144.17 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' HD11 ' A' ' 137' ' ' ILE . 5.8 t0 -149.59 170.97 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -103.23 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.48 -85.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 139' ' ' ARG . 3.7 mt -137.42 -62.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.6 mt-10 -89.53 164.55 14.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -92.38 14.27 17.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -151.43 59.88 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 135' ' ' ILE . 76.5 mmt-85 -136.12 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.975 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.1 pp -122.19 161.53 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 134' ' ' ARG . 7.5 ttt180 -147.85 108.19 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.824 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.9 140.94 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -155.96 173.02 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.702 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.7 OUTLIER -102.97 -104.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.702 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.28 -41.47 39.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 45.05 -92.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 109' ' ' GLY . . . 131.21 42.16 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.804 ' CD ' HG21 ' A' ' 122' ' ' VAL . 1.9 mp0 39.45 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -36.8 -61.99 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . 173.87 78.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.831 ' HB2' HD12 ' A' ' 118' ' ' LEU . 58.3 m80 -157.16 135.92 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 120' ' ' SER . 0.5 OUTLIER -62.29 -24.22 67.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.511 ' CA ' ' HG2' ' A' ' 69' ' ' MET . . . -66.31 -64.75 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -54.54 -49.79 69.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -33.93 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 7.8 t -69.84 -29.54 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.885 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.64 -41.83 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.804 HG21 ' CD ' ' A' ' 112' ' ' GLU . 26.0 t -65.18 -39.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.01 -40.34 71.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -72.19 -39.54 68.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.813 HD11 HG21 ' A' ' 76' ' ' ILE . 5.8 mt -79.89 -22.19 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.01 6.48 73.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 71.86 133.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 110.347 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.1 tmtt? 176.21 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.6 m-20 82.1 102.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -135.77 160.29 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.695 ' HB2' HG22 ' A' ' 91' ' ' ILE . 83.3 mt-30 -111.74 154.1 25.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -142.01 148.8 39.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.9 t -140.86 85.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -91.3 145.33 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.9 mp -97.28 149.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -106.82 98.39 1.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -115.83 65.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . -76.23 -108.77 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.733 ' N ' ' HD3' ' A' ' 140' ' ' PRO . 0.0 OUTLIER 64.13 46.06 0.61 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.737 . . . . 0.0 110.328 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.733 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.2 Cg_endo -74.91 148.08 35.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.537 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.1 Cg_endo -75.04 -35.63 3.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -177.11 -84.94 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -159.29 20.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.482 ' HG3' ' H ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -71.03 -55.31 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.621 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 5.3 m-20 -167.82 98.98 0.59 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.7 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.74 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.621 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -55.45 -39.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.581 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -73.9 -34.8 64.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -61.14 -36.05 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.247 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.601 HD13 ' HE1' ' A' ' 17' ' ' TYR . 39.3 mt -101.25 36.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' ' 149' ' ' PHE . 0.8 OUTLIER -68.32 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.167 . . . . 0.0 110.299 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.613 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.9 t30 159.41 48.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.831 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -68.45 28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.613 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.95 -51.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.455 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.719 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -74.98 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.831 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.76 -42.16 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.238 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.1 mt-10 -74.5 -30.03 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.971 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.21 -46.16 83.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.755 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.75 -33.97 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 1.05 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.4 tp10 -75.96 -37.39 58.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.3 -49.49 87.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.971 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.01 -28.72 8.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.486 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 22.2 m -64.77 -58.99 4.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.05 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.41 -54.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.73 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -46.09 -47.57 17.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 108.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -57.18 -46.23 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.47 ' HB3' HG13 ' A' ' 188' ' ' VAL . 7.2 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.975 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.1 -39.45 82.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.8 73.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.9 t0 -67.33 -44.73 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.033 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.14 -43.43 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.3 m -64.61 -51.15 64.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.406 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -57.44 -46.94 83.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.508 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.5 -35.93 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.4 tt -54.98 -50.6 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 56' ' ' ALA . 47.1 mt -74.86 -24.02 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.79 -32.19 73.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.248 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -158.77 -71.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.409 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.87 176.6 35.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 4.3 ptp -89.62 -17.11 29.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 0.803 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.553 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -47.22 -48.23 55.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -75.04 -40.09 0.99 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.633 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.29 -37.06 85.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.2 tt0 -73.21 -40.35 64.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.88 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 25.4 m-20 -78.93 -19.09 52.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 3.4 ttt180 -98.72 -52.44 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.033 HG21 ' HB2' ' A' ' 172' ' ' ALA . 38.3 t -88.65 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.7 t-80 -54.11 -11.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -116.04 70.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.598 ' CZ3' ' HD2' ' A' ' 103' ' ' ARG . 31.9 m-90 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 107.95 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.546 0.213 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.57 159.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 172.44 -56.11 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo -75.03 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -126.84 136.41 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -114.49 143.7 44.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.952 HG12 ' CG1' ' A' ' 91' ' ' ILE . 5.7 m -134.01 143.02 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.845 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.09 125.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 112.3 4.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.176 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -96.26 113.42 25.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.415 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.33 -156.8 10.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.65 116.11 11.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.61 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.02 -91.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 31.85 -148.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.576 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -123.78 -90.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.39 -44.95 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.959 ' CE2' HD21 ' A' ' 151' ' ' LEU . 1.3 t80 -73.16 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 13' ' ' PRO . . . -49.12 -38.34 24.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.615 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.9 mpt_? -83.46 -97.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.675 ' HB ' HD12 ' A' ' 151' ' ' LEU . 70.7 p 40.19 18.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.6 mmp_? 65.1 -5.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.55 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.7 m80 -74.61 16.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.918 ' OD1' HG23 ' A' ' 27' ' ' VAL . 26.5 t-20 -115.3 2.38 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.869 ' CG ' HD13 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -38.44 -42.94 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.59 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -51.91 -58.03 11.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 8.6 t80 -80.48 -19.86 45.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.918 HG23 ' OD1' ' A' ' 23' ' ' ASN . 1.3 t -74.15 -41.39 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.873 HG22 ' SG ' ' A' ' 166' ' ' CYS . 40.4 t -78.14 -48.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.887 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -59.31 -35.42 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 13.9 t70 -70.64 -50.89 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -53.73 -52.39 60.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -59.26 -54.03 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.43 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -75.88 -34.03 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -43.57 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -36.27 79.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.228 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.15 -2.1 83.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -24.56 135.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -104.81 31.29 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.93 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -57.62 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -174.03 -164.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.602 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -137.4 103.68 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -175.12 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.591 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER 54.38 170.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.55 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.829 ' HB3' HD11 ' A' ' 79' ' ' LEU . 24.1 p -69.22 -42.03 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.007 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 99.18 77.6 1.33 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.839 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 179.88 -178.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.601 0.824 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.5 tt0 -87.75 150.86 23.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.93 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 14.9 p -171.81 158.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.769 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -143.72 125.59 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 125.73 41.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.41 131.19 4.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 5.7 mtp180 -117.54 107.33 14.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 0.737 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.543 ' O ' ' O ' ' A' ' 58' ' ' ARG . 73.8 m -169.35 -172.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 64.92 10.21 6.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 86.9 26.42 31.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.9 mmt-85 -178.47 161.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -76.58 167.82 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -156.64 112.84 3.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.524 HG11 HD11 ' A' ' 6' ' ' LEU . 29.8 t -108.12 105.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.887 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tm? -99.93 112.73 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -115.5 165.29 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -175.05 111.02 0.27 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.839 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.02 -157.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 68' ' ' TYR . 78.0 mmt-85 -87.71 -78.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -51.36 -17.87 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.358 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.738 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.5 m-85 59.63 -77.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 67' ' ' CYS . 31.8 ttm -33.37 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' OD1' ' HG2' ' A' ' 69' ' ' MET . 76.5 m-20 -69.7 -31.66 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.76 -34.21 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.738 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.4 t -80.45 -50.99 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -48.26 -48.98 26.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.975 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.54 -43.94 37.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 0.819 . . . . 0.0 110.276 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.59 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.1 tm0? -48.08 -50.41 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.792 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.55 -46.41 80.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.47 -68.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.975 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.829 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.43 -40.7 68.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.792 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.34 -49.46 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -16.94 60.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -73.48 -46.12 49.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.527 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 20.7 m-85 -84.77 -16.16 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.1 p 55.36 52.76 10.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 86' ' ' ALA . 4.9 t -96.12 172.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.582 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -83.93 157.64 63.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.73 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.64 6.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.99 -0.31 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.479 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 90.5 m-20 -105.61 -29.59 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.511 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 7.4 mt -91.13 133.04 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.952 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -135.59 139.84 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.845 HG22 ' CG2' ' A' ' 8' ' ' VAL . 61.9 t -120.28 124.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.016 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.2 pt -104.92 143.36 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.176 ' CE1' HD11 ' A' ' 10' ' ' LEU . 1.6 t60 -153.33 -178.01 6.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' H ' ' CG ' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -105.64 142.16 35.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.582 ' O ' HD13 ' A' ' 137' ' ' ILE . 1.7 t70 -149.77 160.81 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 150' ' ' VAL . 1.8 mp -97.9 102.68 14.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' OD1' HD12 ' A' ' 99' ' ' LEU . 49.6 t0 -94.84 -75.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.2 OUTLIER -134.53 -97.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.201 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.44 179.61 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.29 86.15 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.79 ' O ' HG23 ' A' ' 135' ' ' ILE . 15.7 tpp180 -132.88 158.86 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.971 HD13 ' CB ' ' A' ' 169' ' ' ALA . 0.3 OUTLIER -123.65 161.47 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.4 1.062 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.8 102.05 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.815 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.53 131.43 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -149.92 174.05 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.533 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -94.5 -55.66 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.533 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.12 -45.11 0.83 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.21 -114.44 3.73 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.39 93.91 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.807 ' OE1' HG21 ' A' ' 122' ' ' VAL . 1.8 tm-20 -78.83 72.64 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 0.834 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.84 -89.78 1.96 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -69.02 64.88 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 5.4 m80 -160.51 106.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -62.81 -38.96 92.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.3 -61.69 6.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 122' ' ' VAL . 12.5 mt -51.39 -42.86 61.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 0.722 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -62.66 -36.24 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.163 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.43 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 125' ' ' LEU . 2.8 t -69.14 -44.23 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.807 HG21 ' OE1' ' A' ' 112' ' ' GLU . 15.1 t -72.52 -26.32 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.79 65.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.06 -43.98 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 130' ' ' PHE . 20.8 mt -78.47 -22.82 46.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.15 5.46 62.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 81.94 120.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.602 ' HB2' ' CE2' ' A' ' 130' ' ' PHE . 36.1 mmtt -141.0 14.4 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 7.9 t0 80.52 17.17 0.62 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.831 ' CD2' HD13 ' A' ' 125' ' ' LEU . 38.3 m-85 -49.44 171.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.568 ' HB2' HG22 ' A' ' 91' ' ' ILE . 24.0 mt-30 -104.47 156.63 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.554 ' NH2' HG22 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -140.42 149.61 42.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 1.016 ' HB ' HG22 ' A' ' 93' ' ' ILE . 3.1 t -134.29 86.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -91.41 143.48 26.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.869 HD13 ' CG ' ' A' ' 24' ' ' LEU . 2.7 mp -98.92 150.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -102.51 96.35 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.631 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.64 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 59.5 169.67 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.6 OUTLIER -152.28 157.45 33.87 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.349 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 18.2 Cg_endo -75.05 147.34 33.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.51 1.795 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -75.04 -24.82 12.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.456 1.766 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 156.25 74.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.568 1.168 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 59.81 50.48 6.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 141' ' ' PRO . 0.8 OUTLIER -102.34 -77.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.868 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.7 OUTLIER -165.53 88.67 0.94 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -55.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.556 1.819 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -57.66 -40.83 80.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.81 -43.17 98.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 4.2 t80 -74.96 -19.09 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.664 HG23 HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -81.89 -29.14 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.959 HD21 ' CE2' ' A' ' 17' ' ' TYR . 3.4 mp -89.83 38.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.645 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.8 mm-40 -67.27 -104.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.1 t30 142.85 45.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.856 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -73.26 29.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.63 -53.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.715 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.08 -72.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.856 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.33 9.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 162' ' ' VAL . 17.9 mt-10 -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.003 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.6 OUTLIER -58.67 -43.4 89.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.714 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.8 -34.32 45.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.8 mm-40 -75.23 -36.85 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.637 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.4 t -54.68 -51.47 78.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.003 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -25.5 11.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.537 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -60.74 -57.03 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.724 HG13 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -75.13 -55.15 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.873 ' SG ' HG22 ' A' ' 28' ' ' VAL . 62.6 m -40.69 -43.97 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.9 tt0 -69.49 -44.83 70.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 165' ' ' ILE . 0.6 OUTLIER -64.27 -50.11 69.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.971 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -64.75 -36.16 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -60.95 -40.44 93.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.2 t0 -66.94 -43.17 83.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.43 -42.14 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.2 m -62.78 -52.45 63.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.1 pt-20 -58.14 -47.2 84.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.501 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -65.46 -41.55 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.4 tt -50.22 -50.7 48.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 23.8 mt -75.68 -23.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -65.24 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -160.7 -71.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -155.19 173.37 33.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.4 ptt? -90.01 -17.48 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -48.87 -47.44 73.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.01 -38.79 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.654 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.64 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.397 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.603 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -71.17 -40.67 71.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.801 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 56.1 t30 -78.37 -20.95 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.64 -52.58 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.359 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.037 HG21 ' HB2' ' A' ' 172' ' ' ALA . 36.4 t -87.77 -57.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -68.37 22.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.22 -35.29 7.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.671 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.521 0.201 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.8 128.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -154.28 85.27 3.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.615 1.197 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -74.99 158.88 41.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.534 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -124.56 137.37 54.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.642 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -106.74 146.81 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.877 ' HB ' HD22 ' A' ' 62' ' ' LEU . 40.4 t -129.85 146.23 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.824 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.2 121.17 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.67 113.77 4.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' HG ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -89.13 90.35 8.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -109.1 -150.75 14.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 22' ' ' HIS . 9.5 t-20 -139.62 126.43 12.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.726 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -9.93 20.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.96 -141.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -164.49 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 0.727 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.472 ' CG ' ' N ' ' A' ' 17' ' ' TYR . 6.2 p30 -43.49 -46.29 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -88.8 -19.77 25.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.937 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.69 -28.24 62.57 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.3 tpt180 -58.45 -58.18 9.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.686 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 71.5 p -30.82 -37.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.76 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 141.43 6.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.37 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -61.54 3.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.659 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.7 t-20 -122.38 40.4 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.999 HD12 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -65.33 -56.37 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.93 -43.27 30.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 7.2 t80 -79.43 -30.68 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.4 t -71.46 -40.39 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 93' ' ' ILE . 2.4 t -71.79 -49.48 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.49 -48.68 71.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -60.04 -44.44 94.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -54.31 -62.44 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 11.4 mt -54.93 -28.63 52.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -73.05 -54.49 8.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.03 -28.73 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -49.82 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -81.8 10.61 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.85 -52.16 0.52 Allowed Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -39.25 138.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -100.75 -141.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 2.5 m-85 -147.97 148.22 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -121.8 -164.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' H ' ' CG ' ' A' ' 41' ' ' LYS . . . -128.63 121.24 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 143.7 28.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -79.21 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 1.3 mpt_? 66.68 -63.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.9 m -115.62 -12.07 11.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.94 90.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.6 1.188 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.595 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -166.73 168.92 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.725 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.0 mm-40 -87.83 150.75 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.659 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 3.0 p -174.43 163.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -167.12 145.6 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 127.31 33.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.449 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -118.83 112.0 2.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.96 116.01 30.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 0.729 . . . . 0.0 110.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 174.21 -159.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.936 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.883 ' HB1' HD13 ' A' ' 177' ' ' ILE . . . 41.72 28.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.29 48.51 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER 168.33 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.44 165.48 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.865 HD12 HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -162.09 123.21 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 6' ' ' LEU . 53.5 t -104.78 106.65 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.877 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -94.08 113.4 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -127.89 168.12 15.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 172.36 120.75 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.749 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -154.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.726 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 8.7 mpt_? -80.8 -84.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.593 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.07 -21.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.761 ' O ' ' N ' ' A' ' 72' ' ' SER . 35.7 m-85 61.04 -80.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.515 ' O ' ' O ' ' A' ' 68' ' ' TYR . 2.1 ttm -32.27 -97.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.679 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 21.1 m-20 -62.7 -38.62 91.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.593 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -53.0 -45.69 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.761 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.2 t -65.25 -46.8 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.871 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.49 -52.86 7.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.928 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.17 -51.52 10.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 28.8 mm-40 -44.49 -49.42 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.766 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.67 -48.52 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.13 -67.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.928 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.86 -45.65 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -54.47 -40.77 68.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.805 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.54 -50.08 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -16.73 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -74.51 -44.77 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.416 ' HB3' HG23 ' A' ' 85' ' ' VAL . 6.6 m-85 -80.2 2.15 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.0 t 52.63 45.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 83' ' ' TYR . 77.2 t -112.8 147.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.508 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -82.74 165.14 43.51 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.508 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.3 Cg_endo -75.05 -21.75 15.43 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.558 1.82 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -11.1 38.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 6' ' ' LEU . 65.4 m-20 -110.6 -11.93 14.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 81.8 mt -93.02 135.55 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.815 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -133.81 117.44 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.824 HG22 ' CG2' ' A' ' 8' ' ' VAL . 57.5 t -103.26 122.71 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.684 HD13 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -105.68 145.87 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.818 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -154.14 179.51 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.6 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CG ' ' CD ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -108.02 143.04 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -152.21 152.12 31.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.732 HD12 ' CD ' ' A' ' 140' ' ' PRO . 0.4 OUTLIER -89.7 111.95 23.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.647 ' C ' HD12 ' A' ' 99' ' ' LEU . 3.4 t70 -117.7 -68.46 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.647 HD12 ' C ' ' A' ' 98' ' ' ASP . 10.6 mp -124.07 -106.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -89.61 172.08 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -86.8 64.0 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.555 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . 175.02 46.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.79 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 mmm-85 -138.83 165.2 27.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.026 HG23 HD11 ' A' ' 165' ' ' ILE . 1.1 pp -125.47 157.58 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.612 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -150.1 94.91 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.913 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.45 144.4 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 132' ' ' ARG . 9.2 mtpt -156.99 -178.5 7.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.535 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -127.26 -80.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.535 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -46.14 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.17 133.22 52.77 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 179.26 -97.34 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' GLY . 7.8 tt0 -37.39 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.374 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.28 -64.94 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -145.92 66.05 0.43 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -135.1 129.68 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -64.42 -41.29 96.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.812 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.17 -66.43 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.44 -43.89 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.9 ttt-85 -60.65 -34.86 74.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -73.77 -32.36 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.052 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.871 HG22 ' HA2' ' A' ' 73' ' ' GLY . 3.7 t -74.01 -41.14 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.618 HG22 ' CB ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -65.5 -41.22 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.39 -37.91 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -72.23 -48.04 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.835 HD12 HG12 ' A' ' 121' ' ' VAL . 14.2 mt -78.73 -20.42 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 80.25 2.48 89.17 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.618 ' CB ' HG22 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 69.84 117.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 0.824 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 12.8 mmtt -148.93 17.05 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 5.7 m-20 82.23 95.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 4.4 p90 -125.3 171.96 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -102.33 156.63 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -141.01 151.45 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 106' ' ' LEU . 9.5 t -137.64 86.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.612 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -89.79 145.37 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.999 HD13 HD12 ' A' ' 24' ' ' LEU . 3.5 mp -100.52 149.0 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.13 95.01 1.81 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.783 HD12 HG22 ' A' ' 150' ' ' VAL . 1.4 pp -105.8 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.521 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . 61.37 173.46 1.26 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -132.81 159.68 71.57 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.732 ' CD ' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.01 126.57 10.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -79.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.597 1.84 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.06 -143.66 4.55 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -98.24 60.95 1.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.44 -69.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 1.021 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.9 OUTLIER -171.85 97.19 0.39 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -63.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.542 1.811 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.0 86.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 1.021 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -61.11 -41.81 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.3 t80 -74.58 -22.73 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.783 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -80.4 -27.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 17' ' ' TYR . 3.4 mm? -90.94 39.07 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.0 mm-40 -60.63 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.2 t-20 152.13 47.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.819 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -69.25 32.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.651 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -11.87 -54.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.783 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.0 -81.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.819 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -43.03 -27.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.565 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 1.0 OUTLIER -79.43 -43.37 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.011 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -75.18 -30.77 60.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.641 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.3 -40.7 58.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.962 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.7 mm-40 -78.46 -35.85 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -48.66 -52.78 42.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 109.376 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.011 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -35.2 3.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.622 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -53.95 -53.32 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 110.487 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.026 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -76.76 -50.35 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.902 ' N ' HD13 ' A' ' 165' ' ' ILE . 17.2 m -44.29 -50.37 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -64.81 -46.09 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.538 ' HB3' HG13 ' A' ' 188' ' ' VAL . 2.1 mp0 -60.43 -42.99 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.869 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -67.6 -42.64 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.58 -39.8 68.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 4.5 m-20 -68.49 -45.03 73.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.222 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.914 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -56.73 -43.95 81.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.629 1.206 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -64.9 -53.53 44.99 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.4 pt-20 -59.15 -47.34 85.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.5 OUTLIER -62.74 -39.13 93.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.655 ' C ' HD23 ' A' ' 176' ' ' LEU . 4.6 tt -55.22 -46.99 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.883 HD13 ' HB1' ' A' ' 56' ' ' ALA . 4.0 mt -68.48 -29.91 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.4 OUTLIER -62.44 -41.36 98.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.5 -72.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.21 173.45 35.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.461 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 2.4 ptp -87.46 -16.82 33.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -44.43 -50.03 23.66 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.527 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.9 -38.42 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -64.13 -39.53 94.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' C ' ' A' ' 189' ' ' HIS . 1.6 tt0 -70.38 -40.02 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.921 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 4.4 m-20 -79.61 -23.13 42.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -91.43 -54.36 3.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.222 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.914 HG21 ' HB2' ' A' ' 172' ' ' ALA . 80.8 t -88.28 -56.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.644 ' CE1' ' NH2' ' A' ' 103' ' ' ARG . 23.9 t-80 -73.07 20.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.52 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.921 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -69.16 -41.14 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.615 ' CZ3' ' O ' ' A' ' 188' ' ' VAL . 44.1 p90 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 107.961 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.438 0.161 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.45 104.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.51 74.89 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -177.77 3.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -132.63 137.91 47.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.3 137.95 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.567 HG13 ' CG1' ' A' ' 91' ' ' ILE . 21.9 t -127.67 145.26 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.75 119.4 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -88.45 105.81 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.969 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -92.73 95.43 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -118.77 -151.01 8.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 17.9 t-20 -138.23 128.98 15.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.613 0.831 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -74.97 2.14 6.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.822 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -55.61 -159.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.405 1.065 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.8 -76.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -53.8 -37.35 63.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -18.79 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -29.06 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' C ' ' N ' ' A' ' 21' ' ' ARG . 21.7 mmt180 -53.98 -54.75 34.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.91 HG22 ' OD1' ' A' ' 153' ' ' ASN . 42.1 p -49.47 -14.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.357 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.801 ' NE ' HG22 ' A' ' 162' ' ' VAL . 0.0 OUTLIER 106.98 19.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 12' ' ' ASN . 14.7 t-160 -63.96 5.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.5 t-20 -125.78 43.19 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD13 ' NE ' ' A' ' 21' ' ' ARG . 1.3 tp -62.49 -66.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.505 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -36.42 -48.07 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.2 -35.51 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.797 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.2 t -65.84 -41.28 89.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 31' ' ' LEU . 38.8 t -69.64 -50.44 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.065 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -53.16 -48.55 67.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 t0 -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.02 -61.07 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.0 mt -50.94 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.69 97.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.375 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -53.86 -37.63 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -44.3 14.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.1 -168.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.85 -17.8 66.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.54 105.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.49 74.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.911 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -144.48 -155.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -165.85 -161.85 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.22 126.14 47.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -63.4 110.4 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -48.15 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.11 -65.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.986 ' CB ' HD11 ' A' ' 79' ' ' LEU . 4.2 p -70.14 -44.57 68.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.31 67.05 0.92 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.565 1.165 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' HIS . . . -173.0 164.37 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.6 mt-10 -77.68 148.28 35.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.305 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 6.4 m -146.09 112.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.911 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -114.65 109.52 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.97 127.62 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.85 127.93 5.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.96 107.06 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -175.2 -162.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.85 26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.24 51.41 56.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 177' ' ' ILE . 0.1 OUTLIER 171.64 153.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 0.803 . . . . 0.0 110.353 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.64 174.8 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.046 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 2.1 pp -173.92 107.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.49 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 40.9 t -98.97 109.56 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.065 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -99.63 113.97 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.455 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -126.93 163.19 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -178.45 121.88 0.25 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.682 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -157.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.1 mmt180 -80.44 -85.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.621 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -43.66 -22.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 108.317 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.722 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.3 m-85 63.92 -80.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.969 ' HA ' HD13 ' A' ' 10' ' ' LEU . 19.7 ttm -38.41 -96.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.55 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 31.9 t-20 -58.54 -37.55 75.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -54.79 -50.68 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.722 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -64.68 -32.19 73.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.937 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -58.89 -50.67 65.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 1.119 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -85.19 -35.18 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 0.805 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 19.6 mm100 -63.08 -46.26 88.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.7 mt -73.75 -49.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -31.79 -61.06 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 1.119 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -48.22 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.428 1.752 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.986 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.09 -41.46 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.682 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -66.97 -49.63 64.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -16.78 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -74.64 -43.89 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.47 -4.03 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t 49.01 46.02 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.858 HG22 ' ND2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -101.44 162.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -81.93 148.8 61.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.648 ' HA ' ' CE1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.98 -9.01 20.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.54 -6.91 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.858 ' ND2' HG22 ' A' ' 85' ' ' VAL . 27.0 p30 -112.12 -18.07 12.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.58 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -86.13 129.46 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.567 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -139.6 120.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.8 p -104.79 131.66 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.592 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -111.51 144.19 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.572 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 2.2 t60 -156.92 171.7 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.623 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.513 ' HB2' HG21 ' A' ' 137' ' ' ILE . 1.4 p30 -95.31 139.95 30.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.666 ' CG ' ' HE2' ' A' ' 115' ' ' HIS . 6.4 t0 -146.03 160.8 41.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.482 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 0.4 OUTLIER -94.9 114.3 26.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.513 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -117.34 -76.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 98' ' ' ASP . 8.3 mp -130.06 -98.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.436 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -90.31 174.58 7.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.61 ' CE1' ' CG1' ' A' ' 137' ' ' ILE . 1.4 m-85 -94.22 90.05 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.739 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 150.2 41.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.921 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.8 mmm-85 -136.5 154.93 50.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.954 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.8 pp -116.81 160.42 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.4 tpm_? -149.08 104.96 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.802 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.0 139.54 38.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -152.68 171.33 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -95.64 -55.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -108.72 -57.78 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.35 -109.06 1.35 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.5 134.86 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -96.24 33.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.18 108.1 2.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.62 1.3 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.666 ' HE2' ' CG ' ' A' ' 96' ' ' ASP . 1.5 m80 -64.79 100.88 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 0.81 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.0 m-20 -58.61 -47.78 83.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.71 -55.15 24.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.416 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 11.2 mt -58.49 -49.44 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.88 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 116' ' ' ASN . 7.4 t -69.7 -39.18 77.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.637 HG13 HD12 ' A' ' 125' ' ' LEU . 3.6 t -65.51 -43.52 94.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.594 HG13 ' CB ' ' A' ' 127' ' ' THR . 75.8 t -73.31 -24.32 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.2 64.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.42 -45.16 10.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.092 HD13 ' CE2' ' A' ' 130' ' ' PHE . 21.2 mt -78.17 -23.36 47.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 72.08 5.83 62.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.594 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 78.43 119.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 0.722 . . . . 0.0 110.431 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 40.2 mmtt -136.83 16.07 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.657 ' O ' HD11 ' A' ' 108' ' ' ILE . 16.5 m-20 91.64 6.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 1.092 ' CE2' HD13 ' A' ' 125' ' ' LEU . 17.5 m-85 -43.25 167.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.464 ' HB2' HG22 ' A' ' 91' ' ' ILE . 38.7 mt-30 -108.04 158.17 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -142.06 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.8 t -132.8 86.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 105' ' ' ARG . 10.3 mtp180 -88.39 145.82 25.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.921 HG23 ' O ' ' A' ' 103' ' ' ARG . 4.0 mp -104.41 149.75 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.37 105.74 3.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.747 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -111.96 101.53 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . 48.43 175.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.62 141.57 15.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.482 ' HD3' ' CD1' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.97 127.37 10.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -75.03 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -178.99 -129.43 1.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.547 1.154 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -126.86 4.94 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -51.19 13.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.932 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -173.56 92.7 0.35 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.424 1.75 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.72 76.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.932 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -57.45 -37.95 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.6 OUTLIER -74.26 -32.45 62.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.747 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -65.31 -36.5 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.227 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.618 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -92.08 43.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.1 mm-40 -54.88 -48.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.91 ' OD1' HG22 ' A' ' 20' ' ' THR . 9.8 m-20 91.13 44.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.678 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 1.1 m-85 -70.22 18.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.2 OUTLIER -22.27 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.678 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -66.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.638 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -49.3 -43.76 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.704 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.2 mm-40 -72.63 -29.81 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.024 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -60.53 -41.64 94.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.657 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.89 -35.8 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 3.9 mm-40 -78.53 -33.62 47.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.801 HG22 ' NE ' ' A' ' 21' ' ' ARG . 1.9 t -54.94 -52.22 72.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.024 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -74.98 -34.13 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.476 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -70.0 -49.28 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.739 HD13 ' O ' ' A' ' 102' ' ' GLY . 4.6 tp -70.51 -59.83 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.596 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 92.1 m -44.88 -47.29 11.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -57.52 -46.19 84.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.419 ' HB3' HG13 ' A' ' 188' ' ' VAL . 0.7 OUTLIER -65.16 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.954 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.6 -37.36 86.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.03 90.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.0 OUTLIER -64.48 -43.82 92.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.051 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.95 -41.64 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 6.5 m -60.95 -52.97 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.49 -47.23 82.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.509 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.08 -41.52 90.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.7 tt -49.78 -49.05 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.474 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 9.6 mt -76.87 -24.35 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.28 -31.4 72.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.21 -71.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -161.86 176.84 38.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 185' ' ' GLN . 4.5 ptp -88.01 -20.27 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -45.65 -50.36 32.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.94 -39.61 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -38.07 89.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.97 -40.47 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.729 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -78.47 -20.56 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.1 ttt180 -96.68 -53.06 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.051 HG21 ' HB2' ' A' ' 172' ' ' ALA . 60.4 t -88.04 -58.05 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.569 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.4 t-80 -67.93 23.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -108.03 45.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 108.011 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.68 69.45 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 179.33 81.93 0.18 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.01 164.27 33.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -133.34 140.53 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.4 tt -105.89 149.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.976 ' HB ' HD22 ' A' ' 62' ' ' LEU . 10.9 t -135.66 142.73 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.4 119.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.47 107.55 3.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.531 1.145 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -87.04 103.66 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.53 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -140.21 5.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.572 1.17 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.633 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 1.1 m120 -136.35 126.43 16.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.2 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.644 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 66.35 134.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.936 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . 166.97 123.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -54.77 -26.86 37.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -92.63 -17.95 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.936 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . . . -72.13 -41.95 66.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' THR . 18.3 mmt85 -39.59 -46.1 1.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.538 HG21 ' O ' ' A' ' 151' ' ' LEU . 53.9 p -33.43 -38.7 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.619 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.2 ptp180 156.17 -9.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -53.93 -3.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.664 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 27' ' ' VAL . 51.9 t30 -122.69 36.46 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD13 HD13 ' A' ' 135' ' ' ILE . 5.2 mt -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.837 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -53.06 -50.75 50.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.7 t80 -84.23 -24.72 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 23' ' ' ASN . 7.9 t -72.92 -41.07 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.47 HG11 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -82.58 -38.85 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -66.94 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.9 t0 -75.22 -48.8 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.71 -50.93 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -57.04 -57.33 13.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -61.97 -21.06 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -78.48 -28.14 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' NH1' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -97.86 -44.77 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -21.46 61.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.84 -5.15 82.12 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -32.77 148.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -134.65 39.92 2.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.854 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.09 -152.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -174.93 -163.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -116.89 113.11 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 1.113 ' HE2' ' HB3' ' A' ' 48' ' ' ALA . 10.0 p-80 -67.05 144.69 56.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 -49.99 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -37.81 -70.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.479 ' CB ' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -70.18 -42.83 71.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 95.91 90.0 1.78 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.113 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . 162.11 -174.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.5 tp10 -114.65 148.84 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.854 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 8.8 p -158.5 162.5 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.73 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -143.84 125.95 15.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.33 125.6 30.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -126.04 94.38 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' SER . 5.5 mtp180 -114.36 114.7 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.537 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER 164.42 -165.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.973 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 47.57 33.53 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.04 47.06 91.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.9 OUTLIER 171.99 161.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.21 169.38 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.056 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.5 pp -164.96 121.48 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 53.0 t -104.55 103.37 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.976 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -89.55 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -103.8 166.97 10.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HZ1' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -178.64 109.77 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.651 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.04 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.3 mmt180 -80.25 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.676 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -50.96 -15.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.622 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 11.2 m-85 60.79 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' CYS . 3.8 ttt -42.77 -94.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.71 -34.66 73.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.676 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -57.08 -43.57 82.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.651 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 41.1 t -66.42 -49.75 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.643 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -46.17 -52.62 10.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.386 1.054 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.979 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.92 -46.08 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.697 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 3.4 mm-40 -50.11 -48.04 53.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.781 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.6 mm -68.03 -47.44 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.9 -66.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.979 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.02 -46.81 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.812 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.41 -39.63 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.791 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.58 -51.09 54.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -72.77 -16.97 61.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.661 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -74.68 -44.44 50.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -80.51 0.29 34.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.2 p 54.1 47.09 24.04 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 86' ' ' ALA . 38.4 t -122.74 151.03 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.224 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -83.79 166.21 35.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.553 ' HB2' ' CA ' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.06 -19.53 17.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.15 -10.19 6.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 56.7 m-20 -110.28 -25.47 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.536 HG12 HD22 ' A' ' 6' ' ' LEU . 9.7 mt -87.23 137.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.905 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -135.87 143.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.819 HG22 ' CG2' ' A' ' 8' ' ' VAL . 22.6 t -120.83 132.38 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.996 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -110.07 147.48 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.763 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -153.74 175.3 13.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.554 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.781 ' CB ' HD12 ' A' ' 24' ' ' LEU . 1.9 p-10 -100.1 141.01 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -152.03 165.66 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.872 HD22 HG21 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -101.31 132.03 47.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -127.33 -78.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 1.3 mp -131.17 -86.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.4 mp0 -89.06 167.53 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 7.5 m-85 -91.73 66.67 5.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.52 44.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -135.66 163.34 30.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.735 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -124.08 164.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.8 tpt180 -146.38 105.99 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.807 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.98 132.48 53.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -152.62 172.89 15.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.759 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -118.62 -85.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.502 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -56.89 -85.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 35.67 -146.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -132.48 127.34 4.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.533 ' N ' HH22 ' A' ' 132' ' ' ARG . 0.1 OUTLIER -69.85 -17.49 63.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.51 -163.39 18.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.69 68.16 3.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.2 OUTLIER -110.46 128.51 55.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 120' ' ' SER . 1.5 m-80 -72.27 -35.34 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.91 -61.19 4.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.17 -50.7 68.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.8 ttm-85 -58.6 -42.36 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.349 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.6 t -66.62 -30.3 70.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.643 HG22 ' HA2' ' A' ' 73' ' ' GLY . 18.4 t -67.34 -44.52 87.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 127' ' ' THR . 41.6 t -71.89 -29.46 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.09 -41.5 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.61 -47.31 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.791 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -78.97 -24.49 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 63.41 8.47 25.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.771 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -101.79 -152.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.484 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 19.7 tptt 179.72 78.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -168.94 24.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.209 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CA ' ' HB2' ' A' ' 87' ' ' PRO . 24.6 p90 -90.27 169.44 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 91' ' ' ILE . 56.3 mt-30 -109.51 159.18 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.533 HH22 ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -136.21 147.2 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.996 ' HB ' HG22 ' A' ' 93' ' ' ILE . 6.1 t -136.42 84.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.0 mpp_? -88.41 145.98 25.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.006 HD13 HD13 ' A' ' 24' ' ' LEU . 2.7 mp -95.82 150.04 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.47 97.51 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -110.94 100.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.597 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . 61.24 171.65 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.115 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -118.34 157.36 49.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.668 ' CD ' HD12 ' A' ' 97' ' ' LEU . 17.9 Cg_endo -75.09 115.75 4.37 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.406 1.74 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -88.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -112.76 -138.93 7.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -119.56 3.07 11.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.421 ' HE2' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -50.86 -52.41 41.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.831 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.4 OUTLIER 174.54 88.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -75.05 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.77 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.6 -45.48 89.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.42 -40.71 92.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.18 -26.54 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.872 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -71.39 -36.07 59.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.829 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -100.62 46.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -55.71 -88.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.5 t30 151.35 47.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.78 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.26 27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.565 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -24.97 -51.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.608 1.192 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.659 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -75.09 -66.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.78 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.83 -43.08 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.41 -31.33 65.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.005 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.93 -45.48 90.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.735 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -74.55 -36.24 63.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.994 ' O ' HG22 ' A' ' 165' ' ' ILE . 0.4 OUTLIER -75.19 -38.59 60.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.681 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -49.65 -50.95 63.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.005 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.95 -29.01 8.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -64.95 -59.37 4.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.071 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.994 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.56 -53.78 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.677 ' O ' ' N ' ' A' ' 170' ' ' ALA . 35.2 t -47.24 -47.54 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.368 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -57.83 -47.25 83.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.453 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 4.4 tm0? -65.84 -44.99 83.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.716 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.49 -37.56 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.196 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.31 -47.06 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.14 -43.36 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.663 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -60.96 -41.58 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.8 m -63.51 -53.12 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 177' ' ' ILE . 1.9 pt-20 -57.73 -42.52 84.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.56 ' CD2' ' HB2' ' A' ' 183' ' ' PRO . 1.2 tp -70.39 -41.27 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.727 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.5 tt -49.24 -47.32 46.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.51 HG22 ' O ' ' A' ' 174' ' ' GLU . 1.4 tt -71.45 -38.56 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.28 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -101.92 -76.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -167.38 -167.18 27.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -86.84 -14.64 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -50.12 -50.37 69.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 175' ' ' LEU . 18.5 Cg_endo -74.99 -38.04 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.805 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.2 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.615 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -67.47 -35.55 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.06 -22.89 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.02 -58.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.242 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -62.47 -47.08 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.615 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.03 16.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.561 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -140.1 85.77 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.516 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.516 0.198 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.82 46.09 2.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.5 104.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.2 Cg_endo -75.03 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.952 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -130.75 166.99 19.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.18 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -124.17 139.83 53.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.938 HG13 ' CG1' ' A' ' 91' ' ' ILE . 4.4 t -124.86 142.29 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.836 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.23 120.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' NZ ' ' A' ' 64' ' ' LYS . . . -100.92 110.32 3.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.941 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -93.93 108.73 20.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 23' ' ' ASN . . . -127.14 -140.18 5.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.9 128.69 18.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.3 Cg_endo -75.0 -24.62 12.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.54 -147.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -158.68 -68.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.381 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -46.02 -38.88 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.41 -20.2 20.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.43 -37.57 68.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -44.85 -25.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 18.4 p -76.79 24.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.846 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 1.4 mtt180 67.97 10.87 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.475 ' CE1' HD21 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -65.68 7.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.688 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.9 t30 -128.61 40.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.598 1.186 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.886 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -61.76 -45.7 92.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.53 -47.63 68.93 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.664 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 11.2 t80 -81.55 -25.02 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.736 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 23' ' ' ASN . 10.7 t -76.72 -38.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.696 HG23 HD12 ' A' ' 24' ' ' LEU . 2.6 t -76.73 -47.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.841 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -61.42 -44.72 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.61 1.194 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.2 t70 -66.12 -39.74 90.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.19 -58.27 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.73 -52.4 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -60.9 -20.76 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.26 -28.29 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -83.63 -41.88 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.95 16.02 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 43.53 27.68 0.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -45.9 173.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.03 58.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.754 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -79.61 -158.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.585 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.62 -163.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -144.33 150.92 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' ALA . 66.2 t60 -130.57 156.17 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' ARG . 2.3 pttp -62.87 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 36.89 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.361 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.509 ' CB ' HD21 ' A' ' 79' ' ' LEU . 33.0 m -66.48 57.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -125.65 -55.65 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.909 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.1 -169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 9.5 tp10 -76.41 149.3 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.754 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 11.0 p -173.06 158.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.612 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -143.63 126.77 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.72 127.21 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -117.56 118.45 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -141.55 91.35 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -170.05 -162.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 46.33 25.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.14 42.06 96.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 177.97 152.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.623 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -81.08 -177.12 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.057 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 174.11 114.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.92 106.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.841 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -92.38 108.27 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.542 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -113.56 170.11 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.628 ' HZ3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 177.71 118.84 0.18 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.909 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.94 -152.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.502 ' C ' ' N ' ' A' ' 68' ' ' TYR . 3.0 mmt-85 -90.06 -85.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -45.51 -22.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.86 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.5 m-85 61.85 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.664 ' HA ' HD13 ' A' ' 10' ' ' LEU . 53.8 ttm -27.67 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -70.79 -32.84 70.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.77 -32.71 72.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.6 t -78.83 -55.24 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.72 -50.93 8.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.13 -47.32 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.75 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -43.32 -51.37 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.852 HG23 HD21 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -67.78 -44.96 85.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.21 -70.42 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.994 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.96 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.46 -39.63 64.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.8 -50.48 56.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -16.98 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.645 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -75.74 -44.41 41.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -85.31 -12.1 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.05 51.69 11.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.793 ' CG1' HD11 ' A' ' 90' ' ' ILE . 9.8 p -95.28 168.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.466 ' H ' HG22 ' A' ' 85' ' ' VAL . . . -90.69 156.83 44.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.631 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.2 14.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.952 ' O ' HD12 ' A' ' 5' ' ' LEU . 28.3 m-20 -116.1 -23.67 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.793 HD11 ' CG1' ' A' ' 85' ' ' VAL . 84.6 mt -86.57 122.97 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.938 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -128.03 116.9 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.836 HG22 ' CG2' ' A' ' 8' ' ' VAL . 50.8 t -105.48 121.91 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.641 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.68 146.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.941 ' CE1' HD11 ' A' ' 10' ' ' LEU . 1.8 t60 -157.19 164.62 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.88 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -96.17 144.42 26.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.514 ' OD1' HD23 ' A' ' 97' ' ' LEU . 4.3 t0 -151.76 179.35 8.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.796 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.3 pt? -107.14 105.18 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.871 ' HB3' HD12 ' A' ' 99' ' ' LEU . 3.2 t0 -124.17 -68.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.871 HD12 ' HB3' ' A' ' 98' ' ' ASP . 4.5 mp -119.58 -125.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.583 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -80.3 -175.1 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -91.78 64.66 4.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.525 ' CA ' HG21 ' A' ' 165' ' ' ILE . . . 167.08 45.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.571 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.31 125.63 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.595 HG22 HG12 ' A' ' 135' ' ' ILE . 1.3 pp -98.32 153.91 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 134' ' ' ARG . 3.2 mmt180 -143.97 116.6 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.859 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.11 129.33 51.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -135.84 179.25 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.784 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.4 OUTLIER -119.24 -89.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -125.39 48.0 0.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.97 -68.48 1.6 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.53 100.81 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -41.09 135.35 1.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.68 54.54 3.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 38.05 45.01 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.91 138.67 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.39 -43.9 75.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.32 -48.59 84.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.41 ' CB ' ' HB2' ' A' ' 112' ' ' GLU . 14.7 mt -64.66 -48.27 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.477 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -59.67 -36.0 75.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.0 t -74.53 -29.31 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 125' ' ' LEU . 2.2 t -71.87 -43.86 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.592 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.96 -41.14 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.01 -35.13 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -77.47 -51.51 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 76' ' ' ILE . 22.5 mt -78.54 -21.13 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.592 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 77.59 0.6 73.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.448 ' C ' ' HG2' ' A' ' 128' ' ' LYS . 0.4 OUTLIER 77.02 120.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.666 ' HB2' ' CZ ' ' A' ' 130' ' ' PHE . 53.6 mmtt -146.67 15.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.784 ' O ' HD11 ' A' ' 108' ' ' ILE . 9.0 t0 87.66 20.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.747 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 75.2 m-85 -55.4 153.79 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.606 ' HG3' HD13 ' A' ' 108' ' ' ILE . 46.3 mt-30 -93.75 155.46 17.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -144.45 149.58 36.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 6.2 t -128.5 89.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 105' ' ' ARG . 9.1 mtp180 -88.75 145.46 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.92 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.3 mp -105.61 142.56 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.03 107.35 3.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.88 HG21 ' OD2' ' A' ' 95' ' ' ASP . 2.3 pt -100.92 154.06 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.628 ' C ' ' O ' ' A' ' 137' ' ' ILE . . . -15.4 124.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' LEU . 9.7 ptt180 -105.64 158.0 33.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 18.5 Cg_endo -74.99 142.6 28.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.61 1.848 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.48 ' CD ' ' HE3' ' A' ' 144' ' ' LYS . 18.3 Cg_endo -74.99 -63.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 143' ' ' ARG . . . -157.06 102.07 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.569 1.168 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 142' ' ' GLY . 0.5 OUTLIER 36.81 57.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.266 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.48 ' HE3' ' CD ' ' A' ' 141' ' ' PRO . 7.2 ttmt -110.92 -80.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.943 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 4.1 m-20 -149.68 92.42 4.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.416 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -75.04 -66.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.89 70.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.943 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.59 -44.32 93.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 138' ' ' GLY . 9.7 t80 -78.16 -27.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -67.85 -32.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 22' ' ' HIS . 60.3 mt -105.02 44.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.709 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -63.21 -101.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.4 t30 136.25 46.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.757 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.7 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.604 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -20.62 -51.95 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.734 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.04 -75.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.576 1.83 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.757 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.68 -38.12 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.703 ' HG2' HG23 ' A' ' 162' ' ' VAL . 1.0 OUTLIER -75.06 -32.76 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.3 -43.71 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.7 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.51 -34.57 54.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.638 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 5.5 tp10 -74.34 -37.36 63.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.703 HG23 ' HG2' ' A' ' 158' ' ' GLU . 0.9 OUTLIER -54.04 -52.6 66.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.638 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -62.78 -54.65 35.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 110.377 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.599 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -77.22 -53.37 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.721 ' O ' ' HB2' ' A' ' 170' ' ' ALA . 57.8 m -42.0 -44.84 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -69.78 -47.08 64.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -63.96 -45.86 87.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -71.31 -35.18 71.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.89 -48.97 74.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 29.3 m-20 -68.28 -40.53 81.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.911 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.2 m -64.56 -51.44 62.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.9 pt-20 -56.66 -42.99 79.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 183' ' ' PRO . 1.4 tp -69.36 -38.0 77.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.749 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.6 tt -52.97 -47.88 67.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.5 mt -81.41 -20.93 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.456 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -57.91 -60.88 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.59 -71.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -152.48 -177.18 25.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -11.58 35.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -51.43 -47.51 88.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -37.56 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.792 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -44.46 87.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.0 tt0 -68.03 -36.62 80.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.836 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 13.5 t30 -82.2 -21.96 36.18 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -102.1 -57.6 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.911 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.66 -51.49 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -73.32 8.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.836 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.24 94.43 2.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.507 0.194 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.09 88.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -144.5 74.1 15.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.24 18.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -131.87 137.84 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.658 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.14 138.16 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.796 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -126.4 140.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.718 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.07 122.35 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.324 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.99 107.6 3.26 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.947 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -94.2 93.4 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 0.703 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -119.2 -149.61 8.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 2.9 m120 -134.29 128.99 19.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.75 -166.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -143.82 -172.41 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.368 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.599 ' CE2' ' HG ' ' A' ' 151' ' ' LEU . 1.9 t80 -67.6 -22.57 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -43.6 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 20' ' ' THR . 4.4 tpt180 -44.73 -49.75 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.673 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 72.5 p -26.34 -44.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 110.396 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.55 -15.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 1.1 t-160 -53.29 -5.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.657 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.9 t-20 -103.64 18.47 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -53.62 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.61 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -31.16 -63.87 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.95 -36.83 85.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 111.052 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.5 t -58.85 -44.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.771 HG21 HD13 ' A' ' 93' ' ' ILE . 81.8 t -64.63 -48.97 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB1' ' HE3' ' A' ' 64' ' ' LYS . . . -55.99 -46.37 78.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -45.82 73.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.688 HD13 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.5 -62.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 5.9 mt -55.76 -33.02 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.858 ' HA ' HD22 ' A' ' 36' ' ' LEU . . . -71.34 -26.29 62.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.19 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -92.65 -43.44 9.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.093 HD21 ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -72.27 -34.7 68.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.64 ' N ' HD23 ' A' ' 36' ' ' LEU . . . 91.26 -41.15 2.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 1.093 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -26.25 137.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -95.81 74.07 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.869 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 18.8 m-85 -32.13 148.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -115.94 -175.41 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.77 139.85 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -138.48 151.84 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.54 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.6 mmmt -65.56 -171.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.6 ttt85 34.52 -144.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . 1.046 ' O ' HD21 ' A' ' 79' ' ' LEU . 72.7 p -68.4 55.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -121.44 -58.1 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.868 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.73 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 0.741 . . . . 0.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.59 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.2 tp10 -86.98 148.15 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -173.83 163.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.869 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -165.55 147.07 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.065 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.11 127.41 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.579 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -122.14 109.65 1.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -109.76 115.84 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 0.728 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.89 -157.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.27 32.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 57.37 51.69 56.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HB2' HG21 ' A' ' 177' ' ' ILE . 0.1 OUTLIER 165.49 155.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.06 164.15 23.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -158.01 127.06 5.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.446 HG11 HD11 ' A' ' 6' ' ' LEU . 23.6 t -103.79 110.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.837 HD12 ' CE1' ' A' ' 40' ' ' PHE . 1.7 tm? -101.26 125.46 47.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.506 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -140.08 165.56 27.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.667 ' HE3' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.23 117.15 0.26 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.868 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.91 -157.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.478 ' C ' ' N ' ' A' ' 68' ' ' TYR . 82.1 mmt-85 -80.81 -83.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.659 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -49.98 -17.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.644 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.6 m-85 61.74 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.947 ' HA ' HD13 ' A' ' 10' ' ' LEU . 30.7 ttm -39.27 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.675 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 7.6 p-10 -62.4 -41.85 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.659 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 2.7 tp10 -50.93 -44.63 60.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.063 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.644 ' N ' ' O ' ' A' ' 68' ' ' TYR . 46.8 t -66.0 -45.71 80.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.053 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.848 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -46.52 -52.55 10.83 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.18 -50.31 11.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.611 ' OE1' ' HB2' ' A' ' 48' ' ' ALA . 7.1 mm-40 -46.39 -48.14 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.732 ' O ' ' N ' ' A' ' 80' ' ' ALA . 51.8 mt -68.89 -48.1 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.59 -66.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.9 -45.61 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.046 HD21 ' O ' ' A' ' 46' ' ' SER . 22.5 mt -54.36 -41.72 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.74 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.28 -45.21 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -77.69 -16.72 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.6 t80 -76.55 -39.59 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -79.35 -2.37 41.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t 48.98 45.5 22.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 89' ' ' ASN . 0.5 OUTLIER -120.79 163.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.36 154.25 59.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HG3' HG21 ' A' ' 127' ' ' THR . 18.5 Cg_endo -74.96 -10.08 21.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -11.94 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.692 HD21 HG22 ' A' ' 85' ' ' VAL . 15.6 p30 -108.77 -15.27 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -85.56 128.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.796 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -137.71 118.42 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 7.7 p -102.57 128.02 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.886 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -101.2 148.76 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.931 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.7 t60 -155.19 -179.98 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.527 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -105.01 139.58 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.611 ' O ' HD13 ' A' ' 137' ' ' ILE . 4.4 t0 -148.23 155.78 41.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.731 HD12 ' HD3' ' A' ' 140' ' ' PRO . 0.3 OUTLIER -92.67 115.09 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.89 -69.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.506 HD23 ' HG3' ' A' ' 100' ' ' GLU . 8.3 tp -131.5 -105.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HG3' HD23 ' A' ' 99' ' ' LEU . 14.2 mt-10 -88.23 179.12 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.662 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.26 75.11 5.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.59 40.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.72 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -132.39 157.33 44.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.027 HG21 ' HB2' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -114.31 163.22 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 13.0 tpt180 -151.05 100.59 2.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.853 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -101.67 129.61 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -147.56 165.37 30.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.746 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.4 tp -119.2 -86.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.746 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -58.06 -48.46 82.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.607 1.192 . . . . 0.0 111.063 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.447 ' HA3' ' NH2' ' A' ' 132' ' ' ARG . . . 40.06 -99.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -166.05 -56.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 2.3 tm-20 90.32 21.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 0.829 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.14 146.4 25.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.36 54.84 18.53 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.448 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -148.98 107.49 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.671 179.917 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 120' ' ' SER . 9.2 m-80 -66.45 -54.07 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 1.025 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -53.35 -60.98 7.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.542 HD13 ' CD ' ' A' ' 132' ' ' ARG . 9.6 mt -51.12 -43.73 61.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.512 ' O ' HG12 ' A' ' 122' ' ' VAL . 7.3 ttt180 -65.93 -33.9 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' ASN . 0.5 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 117' ' ' GLY . 4.0 t -72.87 -41.72 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.46 -43.45 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.38 77.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.182 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -70.27 -44.03 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.862 HD12 HG12 ' A' ' 121' ' ' VAL . 34.5 mt -76.56 -24.61 53.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 67.95 4.04 32.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.462 1.102 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.674 HG21 ' HG3' ' A' ' 87' ' ' PRO . 14.6 t -123.75 -176.54 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.462 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -154.67 48.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.5 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -116.05 -2.37 12.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.543 ' HB2' HG23 ' A' ' 90' ' ' ILE . 4.4 p90 -77.96 170.89 15.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.432 ' CA ' HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -126.04 168.91 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.542 ' CD ' HD13 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -141.05 150.28 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.886 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.7 t -122.99 87.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 7.0 mtp180 -86.01 146.92 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.931 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.4 mp -103.53 148.16 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 96' ' ' ASP . . . -93.57 98.85 2.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.662 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -106.99 101.6 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.78 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 53.38 169.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -146.76 160.27 41.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.731 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.09 141.91 26.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -26.98 10.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -175.04 -83.54 0.06 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.53 1.144 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.41 42.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.753 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 145' ' ' ASP . 11.5 ttmt -87.82 -80.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.585 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 19.2 m-20 -166.83 100.94 0.66 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.56 -39.76 77.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.585 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -64.08 -46.02 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.308 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -70.64 -20.79 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.938 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.651 HG12 HD22 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -83.31 -31.45 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.344 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.651 HD22 HG12 ' A' ' 150' ' ' VAL . 1.6 mm? -92.64 42.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 20.5 mt-10 -70.81 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.582 ' C ' ' H ' ' A' ' 155' ' ' THR . 15.2 t30 150.91 47.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.791 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -71.02 30.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 110.985 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -20.54 -53.07 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.711 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.791 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.31 -39.05 13.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.666 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.0 OUTLIER -74.0 -32.75 63.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.0 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.41 -42.41 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.71 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.42 -35.55 54.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.993 ' O ' HG22 ' A' ' 165' ' ' ILE . 17.2 mm-40 -76.75 -36.58 57.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.666 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -52.63 -50.76 78.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.0 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.555 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -59.8 -54.13 49.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.993 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -74.62 -53.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.773 ' N ' HD13 ' A' ' 165' ' ' ILE . 51.3 m -43.8 -49.12 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -63.35 -47.19 83.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.584 ' HG3' ' CH2' ' A' ' 191' ' ' TRP . 0.7 OUTLIER -62.01 -42.03 98.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 1.027 ' HB2' HG21 ' A' ' 104' ' ' ILE . . . -65.64 -43.74 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.06 71.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -67.07 -44.15 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.055 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -56.88 -44.18 82.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 24.5 m -63.55 -52.58 60.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.57 -45.3 89.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.478 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.96 -38.42 86.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.705 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.1 tt -54.15 -50.23 67.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.513 HG21 ' HB2' ' A' ' 58' ' ' ARG . 32.6 mt -74.23 -25.0 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -43.32 99.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.0 -70.61 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -155.39 178.99 31.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.7 ptt? -91.25 -17.85 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -49.99 -45.87 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.08 -37.94 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.397 1.735 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.648 ' HA ' ' HB2' ' A' ' 189' ' ' HIS . 2.2 tt0 -70.3 -40.53 74.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.998 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 22.6 t-20 -82.74 -23.43 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.529 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -90.26 -54.33 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.055 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.2 t -81.52 -52.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.88 16.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.565 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.998 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -68.29 -37.19 80.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.383 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.584 ' CH2' ' HG3' ' A' ' 168' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 108.029 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.495 0.188 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.21 90.61 1.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -175.21 74.04 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.938 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.03 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -135.48 141.84 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.638 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -115.38 142.43 46.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.884 ' HB ' HD22 ' A' ' 62' ' ' LEU . 42.6 t -127.31 147.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 1.033 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.91 127.13 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 25' ' ' GLY . . . -97.22 114.13 4.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.792 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.87 96.43 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.727 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.91 -162.24 20.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.423 ' HB2' ' HB3' ' A' ' 22' ' ' HIS . 4.4 m120 -130.6 113.17 16.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.5 Cg_endo -74.94 2.99 5.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -44.73 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -179.05 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -45.82 -34.4 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 2.0 t80 -69.25 -36.93 77.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.6 -38.64 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt180 -43.5 -46.24 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.602 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 59.1 p -32.1 -36.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.765 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 150.33 -9.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -61.22 3.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.628 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.717 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.6 t30 -113.58 31.69 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.394 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 21' ' ' ARG . 1.4 mm? -66.93 -60.95 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . -36.84 -42.45 0.72 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.685 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 14.3 t80 -84.17 -40.23 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.4 t -64.79 -41.21 91.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.634 ' CG2' HD12 ' A' ' 24' ' ' LEU . 42.7 t -76.03 -48.16 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 25' ' ' GLY . . . -53.82 -43.91 69.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 17.0 t70 -69.1 -46.47 67.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD12 ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -51.9 -53.01 45.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.3 mt -55.41 -63.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -13.92 16.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.13 -18.59 21.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -102.85 -41.13 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -19.84 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.09 -6.87 78.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' THR . . . -39.28 142.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.74 58.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.623 ' CE2' ' CG2' ' A' ' 50' ' ' VAL . 2.4 t80 -78.23 -106.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -164.7 -167.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.647 ' HB2' ' CD ' ' A' ' 49' ' ' GLU . . . -148.85 159.94 43.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.372 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 45.4 t-80 70.07 -95.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 50.47 -179.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -49.68 -41.05 42.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 p -47.33 -52.71 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.954 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.19 49.2 1.92 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.573 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 176.32 171.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.647 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 2.4 tp10 -78.98 148.26 32.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.244 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.675 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -152.48 134.91 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -145.16 106.98 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.726 HG22 HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -72.9 151.09 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.455 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.462 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -143.92 120.81 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -109.52 111.62 23.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 58' ' ' ARG . 3.2 t -177.47 -161.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 40.19 31.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 57.76 47.02 91.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER 172.84 152.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -81.14 164.35 22.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.783 HD12 HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -155.09 120.93 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.726 HG22 HG22 ' A' ' 52' ' ' THR . 44.8 t -101.13 108.09 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.884 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -93.98 109.88 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.675 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -122.92 165.8 16.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' NZ ' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.81 117.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -156.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.48 ' C ' ' N ' ' A' ' 68' ' ' TYR . 27.8 mmt180 -83.64 -86.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.575 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.34 -18.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 108.343 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.685 ' OH ' ' CD1' ' A' ' 26' ' ' PHE . 17.0 m-85 62.19 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.741 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -39.96 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.504 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 52.8 t-20 -63.15 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.413 1.071 . . . . 0.0 109.203 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 0.4 OUTLIER -58.21 -47.77 82.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.1 t -65.55 -47.34 76.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.58 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -46.52 -52.22 11.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 1.09 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -81.85 -35.81 28.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.638 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 3.1 mm-40 -62.03 -46.19 90.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.033 HD11 HG11 ' A' ' 8' ' ' VAL . 1.5 mp -71.06 -50.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.87 -63.36 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 1.09 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.99 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.85 -40.85 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.24 -47.4 70.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -16.26 59.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.6 t80 -75.88 -44.24 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.631 ' HB3' HG23 ' A' ' 85' ' ' VAL . 12.9 m-85 -81.69 -10.16 59.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.7 t 55.12 49.96 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' HB3' ' A' ' 83' ' ' TYR . 23.2 t -101.12 172.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.556 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -82.44 153.83 68.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.94 -32.72 5.25 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.69 2.9 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' LEU . 84.5 m-20 -104.46 -21.71 13.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 11.6 mt -87.48 133.68 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.726 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -137.62 119.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.904 HG22 ' CG2' ' A' ' 8' ' ' VAL . 48.2 t -104.53 130.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.224 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -108.89 147.49 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.967 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.3 t60 -152.9 171.85 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.453 ' CG ' HG12 ' A' ' 137' ' ' ILE . 18.7 t70 -108.54 143.62 37.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.73 153.4 22.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' HA ' ' C ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -85.69 115.37 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.256 -179.898 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -108.31 -79.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -134.43 -71.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -89.02 163.05 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -96.23 39.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.483 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -170.4 46.1 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.689 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -134.13 171.58 14.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.118 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -124.48 165.61 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.82 95.68 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 1.024 HD12 ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -101.3 147.8 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 1.024 ' N ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -155.77 163.21 40.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -97.33 -54.68 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -153.77 67.67 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.88 -69.54 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 113' ' ' GLY . . . 165.29 96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.462 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 0.4 OUTLIER -41.24 -27.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 111' ' ' GLY . . . 43.21 -108.09 0.15 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.584 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -93.12 81.47 1.07 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 41.4 m80 -160.89 101.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.462 ' CB ' ' HE3' ' A' ' 69' ' ' MET . 6.8 m-20 -63.12 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.412 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -58.53 -65.74 3.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' A' ' 115' ' ' HIS . 9.1 mt -51.78 -45.4 63.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER -60.69 -35.75 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 -31.41 69.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -69.35 -44.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 126' ' ' GLY . 33.7 t -71.42 -26.66 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.81 64.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -84.04 -45.09 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.89 HD13 ' CE1' ' A' ' 130' ' ' PHE . 22.9 mt -78.56 -21.89 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.613 ' O ' HG22 ' A' ' 127' ' ' THR . . . 74.08 8.39 78.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 83.85 164.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.34 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.674 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 14.5 mmtt 155.83 -3.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.674 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 10.5 t0 138.69 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.89 ' CE1' HD13 ' A' ' 125' ' ' LEU . 31.0 m-85 58.39 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -111.74 158.46 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.29 147.7 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.901 HG22 ' HB2' ' A' ' 106' ' ' LEU . 11.1 t -134.41 81.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.7 146.62 26.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.967 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.5 mp -95.77 146.17 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.1 101.91 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.6 pp -118.72 79.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . -105.21 166.65 14.58 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER 176.37 61.94 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.4 Cg_endo -74.98 113.64 3.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.593 1.838 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -29.55 7.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 153.16 65.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 50.61 54.72 10.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 0.77 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -104.82 -75.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.961 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.3 OUTLIER -161.95 102.54 1.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.932 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.71 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.82 . . . . 0.0 111.023 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.4 -45.35 72.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.961 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.37 -40.0 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 139' ' ' ARG . 0.5 OUTLIER -72.9 -28.39 62.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.596 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -67.46 -41.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.477 ' HG ' HG12 ' A' ' 150' ' ' VAL . 84.2 mt -89.53 49.24 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -79.38 -112.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.589 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.9 t30 159.64 47.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.815 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -70.05 27.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.41 -52.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.702 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.91 -71.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.815 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.26 -42.71 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.7 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.7 mt-10 -74.3 -28.92 61.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.997 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.72 -45.32 89.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.938 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.737 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.89 -34.27 51.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 1.018 ' O ' HG22 ' A' ' 165' ' ' ILE . 11.6 tp10 -76.12 -37.18 58.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.7 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.5 -50.38 83.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.997 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -28.86 8.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.414 1.744 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -63.47 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.118 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.83 -54.02 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.675 ' N ' HD13 ' A' ' 165' ' ' ILE . 56.6 m -45.91 -46.33 15.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.3 tt0 -59.58 -44.71 93.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.437 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 32.3 tp60 -67.91 -40.25 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.902 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -71.87 -41.92 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.03 -43.03 81.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -67.14 -42.84 83.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.698 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -58.75 -40.84 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.2 m -63.69 -53.73 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.453 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 5.3 pt-20 -62.73 -39.28 93.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -44.15 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.748 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.2 tt -52.89 -43.94 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.6 mt -79.39 -23.61 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -62.01 -43.62 98.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -143.5 -72.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.239 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -155.25 177.88 32.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 17.8 ttt -89.58 -10.73 44.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.0 mp0 -49.25 -47.42 76.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.99 -38.14 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.715 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -40.68 93.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.646 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.7 tt0 -70.21 -37.64 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 1.002 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 54.5 t30 -82.87 -21.54 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.82 -56.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.715 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -72.21 -54.75 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -67.11 0.26 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 1.002 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.87 94.65 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.676 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.5 0.191 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.15 92.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.465 ' O ' ' NE ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER 175.66 103.52 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -131.75 137.83 48.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -118.2 138.94 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.745 HG13 ' CG1' ' A' ' 91' ' ' ILE . 19.6 t -129.83 144.42 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.36 120.28 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.64 107.22 3.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.04 106.01 18.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.52 -143.73 5.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . 3.7 m120 -135.07 128.97 18.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -173.77 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.386 1.73 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.624 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -34.1 115.54 0.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 167.71 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.43 -11.99 19.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.11 ' CE1' HD11 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -70.24 -18.18 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.33 -30.85 65.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 21' ' ' ARG . 20.1 mmt180 -37.99 -41.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.827 HG21 HD12 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -75.9 38.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.718 ' HD2' HG21 ' A' ' 162' ' ' VAL . 5.8 mmp_? 54.09 22.37 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -65.91 8.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.649 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.68 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 t-20 -131.55 44.72 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.573 HD12 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -63.42 -51.28 66.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.754 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -48.91 -44.61 31.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 7.4 t80 -84.06 -29.27 26.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 0.806 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.8 t -71.69 -36.49 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG22 HD12 ' A' ' 32' ' ' LEU . 7.8 p -80.53 -51.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.834 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.94 -33.99 67.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 23.2 t70 -72.85 -53.41 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.1 OUTLIER -53.43 -51.78 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.683 HD21 ' HB1' ' A' ' 170' ' ' ALA . 1.6 mt -55.14 -57.74 10.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.555 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -60.86 -18.03 53.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -83.0 -27.28 30.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -98.95 -42.81 6.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.43 -21.71 63.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.24 -7.4 81.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.555 ' HB3' ' CB ' ' A' ' 33' ' ' ALA . . . -32.92 147.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 0.791 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.86 76.46 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.705 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.55 -166.74 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -156.83 -163.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.926 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -112.27 141.74 45.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.063 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' HB2' ' CG2' ' A' ' 50' ' ' VAL . 14.9 t60 -110.22 110.19 20.94 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -51.13 27.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -40.36 -54.23 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.895 ' HB2' HD11 ' A' ' 79' ' ' LEU . 95.6 p -83.03 -46.4 12.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.552 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 98.02 66.03 0.89 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 172.61 173.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.8 mm-40 -84.72 147.85 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.597 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -144.0 124.76 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.705 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -115.29 111.17 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.44 124.66 32.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.43 131.6 5.59 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -141.18 98.09 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 110.243 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -164.43 -158.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.77 42.45 98.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HB2' ' CG2' ' A' ' 177' ' ' ILE . 1.6 mmt-85 178.93 155.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.03 177.95 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.3 pp -175.16 107.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 4.1 t -107.69 101.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.834 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -96.57 111.22 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.643 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -122.26 168.99 11.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.632 ' HZ1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -178.34 118.62 0.24 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.635 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -158.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.582 1.833 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 40.7 mmt-85 -84.26 -83.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.59 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.39 -19.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 9.3 m-85 61.01 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.739 ' HA ' HD13 ' A' ' 10' ' ' LEU . 34.4 ttp -33.28 -90.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 69' ' ' MET . 1.8 t-20 -69.6 -33.4 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.59 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.3 OUTLIER -58.8 -32.87 69.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.214 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -80.14 -51.68 8.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -47.87 -49.45 22.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.407 1.067 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.98 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.8 -44.08 42.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.793 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.587 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 2.5 tm0? -47.9 -50.08 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 7.4 mt -68.0 -45.31 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -67.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.98 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.11 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.895 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.46 -40.16 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.76 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.24 -49.64 59.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -16.5 61.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.701 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -76.96 -43.59 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -88.68 -13.46 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.7 t 53.57 48.73 21.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.912 HG22 ' ND2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -95.59 162.47 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -82.05 150.11 64.24 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.01 -4.53 15.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.53 -1.47 53.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.912 ' ND2' HG22 ' A' ' 85' ' ' VAL . 27.4 p30 -116.65 -16.89 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -86.74 124.85 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.745 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 114.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.9 p -102.87 123.77 56.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.763 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.4 OUTLIER -106.48 141.14 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.669 ' O ' HD12 ' A' ' 135' ' ' ILE . 5.4 t60 -161.16 168.79 23.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.554 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.585 ' O ' ' CE1' ' A' ' 115' ' ' HIS . 1.0 OUTLIER -101.99 143.57 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 115' ' ' HIS . 8.8 t0 -137.55 152.82 49.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 150' ' ' VAL . 3.3 mp -83.97 85.03 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -132.54 -43.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.656 ' C ' ' H ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -135.76 90.39 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.829 ' N ' ' H ' ' A' ' 138' ' ' GLY . 16.8 tt0 -67.01 33.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.656 ' H ' ' C ' ' A' ' 99' ' ' LEU . 5.5 m-85 -104.11 -54.94 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.2 50.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 135' ' ' ILE . 1.3 tmm_? -115.07 161.1 18.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.743 . . . . 0.0 110.298 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.026 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.0 OUTLIER -109.01 149.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.7 ttp85 -138.88 104.93 5.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.994 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -103.23 141.14 36.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.643 ' N ' HD12 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -166.82 -168.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.991 HD11 ' O ' ' A' ' 129' ' ' ASP . 1.1 tp -115.69 -131.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.68 ' N ' HG23 ' A' ' 108' ' ' ILE . . . -95.45 63.99 1.35 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.74 25.02 1.8 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.49 -92.85 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 43.94 58.67 3.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 0.777 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.06 -95.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.89 64.89 0.59 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' ASP . 20.0 m170 -114.79 119.0 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -28.16 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.457 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -67.93 -57.37 8.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 122' ' ' VAL . 14.4 mt -56.44 -48.65 76.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -36.63 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -70.91 -30.34 66.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.893 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -68.42 -44.99 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.541 HG13 ' CB ' ' A' ' 127' ' ' THR . 12.2 t -72.94 -27.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.84 -42.57 12.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 121' ' ' VAL . 46.6 mt -79.34 -23.4 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.49 5.72 78.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.541 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 82.74 117.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.796 . . . . 0.0 110.418 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.66 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 15.0 tptt -137.36 6.08 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.991 ' O ' HD11 ' A' ' 108' ' ' ILE . 14.0 t0 89.74 19.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.227 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.726 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 67.1 m-85 -54.1 155.39 3.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.508 ' CG ' HD12 ' A' ' 108' ' ' ILE . 35.4 mt-30 -96.57 155.34 16.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.442 ' NH2' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -144.21 146.11 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.994 HG22 ' HB2' ' A' ' 106' ' ' LEU . 3.4 t -123.58 86.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -88.09 143.28 27.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.767 HG13 HG22 ' A' ' 104' ' ' ILE . 3.6 mp -104.18 150.62 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . -93.57 115.25 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.0 pp -154.62 77.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 0.824 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.829 ' H ' ' N ' ' A' ' 100' ' ' GLU . . . 157.67 178.83 32.08 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 171.45 73.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.584 0.814 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.6 6.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.467 ' CG ' ' HE2' ' A' ' 144' ' ' LYS . 18.3 Cg_endo -75.07 -65.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 168.6 132.84 1.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 43.1 39.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.467 ' HE2' ' CG ' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -104.47 -64.77 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.958 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.6 OUTLIER 168.77 95.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -52.78 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.14 91.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.958 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.41 -42.02 90.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -75.83 -29.99 58.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.967 ' HA ' HD21 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -64.82 -36.18 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.336 179.902 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 1.11 HD11 ' CE1' ' A' ' 17' ' ' TYR . 2.6 mp -101.91 41.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 151' ' ' LEU . 2.0 mp0 -29.12 -51.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 155' ' ' THR . 23.7 t30 67.57 30.55 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.73 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.7 OUTLIER -72.44 21.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.3 -52.51 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.73 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.06 -72.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 161' ' ' GLU . . . -46.36 -41.41 13.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.758 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.6 OUTLIER -75.53 -28.69 59.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -56.9 -45.41 82.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.719 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -80.19 -33.23 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.626 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.0 mm-40 -77.23 -34.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.758 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -57.11 -50.5 87.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -28.0 9.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.8 OUTLIER -58.31 -56.55 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.35 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.921 ' CG1' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -77.11 -47.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.597 ' N ' HD13 ' A' ' 165' ' ' ILE . 30.3 m -46.4 -44.88 17.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.574 1.171 . . . . 0.0 108.367 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.2 tt0 -69.54 -44.52 70.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.12 -46.85 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 1.026 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.93 -41.65 86.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.683 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -55.95 -42.09 75.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.2 t0 -66.33 -41.88 88.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.775 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -57.72 -40.54 79.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.6 m -63.88 -54.24 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.394 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.617 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -61.04 -34.28 74.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.617 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -73.28 -46.02 52.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.9 tt -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.371 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.498 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 15.9 mt -82.23 -26.3 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 3.8 tm-20 -58.3 -45.0 88.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -147.8 -71.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -150.73 177.92 28.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -92.82 -5.7 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -52.34 -45.53 94.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.97 -37.24 2.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.58 -38.97 88.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.626 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.0 tt0 -70.78 -37.8 73.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 1.014 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 50.3 t30 -83.63 -21.33 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.12 -57.0 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.775 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 0.5 OUTLIER -70.05 -58.13 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.626 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -61.84 -10.6 9.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.642 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 1.014 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -129.11 90.47 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.447 ' CH2' HG23 ' A' ' 164' ' ' THR . 3.0 m95 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.044 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 tpp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.513 0.197 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.26 122.0 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -177.04 72.12 0.23 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.584 1.177 . . . . 0.0 110.285 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.456 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.99 148.5 35.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.592 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.57 136.21 51.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.662 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -103.81 143.91 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 62' ' ' LEU . 21.2 t -120.93 142.18 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -137.41 117.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.01 111.51 3.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.805 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.15 95.07 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 68' ' ' TYR . . . -113.02 -147.88 10.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' HIS . 2.8 m120 -136.92 118.73 11.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.0 130.51 13.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.801 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 46.25 -170.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.415 1.072 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 82.34 139.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.06 -8.03 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.929 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -87.39 -16.76 34.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -74.28 -37.66 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -60.52 -52.64 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 17' ' ' TYR . 13.7 t -30.32 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.692 ' NH1' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER 145.36 -3.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.7 t-160 -65.43 8.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 21' ' ' ARG . 20.7 t-20 -118.39 21.78 12.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.967 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -49.74 -45.54 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.65 -60.66 4.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 21.2 t80 -77.55 -24.3 49.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 0.789 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG23 ' OD1' ' A' ' 23' ' ' ASN . 2.0 t -69.07 -42.03 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.661 ' HB ' HD11 ' A' ' 93' ' ' ILE . 3.0 t -74.6 -51.02 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.579 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -56.99 -34.51 68.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ALA . 5.5 m-20 -67.82 -53.06 29.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.69 -56.12 13.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -60.15 -32.4 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.721 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -75.25 -24.51 57.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.34 -27.57 34.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -42.94 14.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 1.1 mp -72.24 -43.66 64.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.07 -8.42 79.85 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.16 146.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.33 82.1 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.886 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 59.6 m-85 -61.45 -178.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -154.12 -167.96 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.79 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -174.01 140.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.504 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -133.18 -175.43 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.567 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 -175.77 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER 48.89 -105.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 45' ' ' ARG . 74.4 m -106.79 45.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -114.12 -65.28 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 50.19 -177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.79 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 2.7 tp10 -81.37 148.31 29.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.6 p 177.85 166.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.886 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -169.65 146.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.79 127.44 32.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -121.46 108.02 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.11 122.99 48.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 172.12 -163.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.07 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.39 42.05 99.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 178.63 153.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 1.7 m -80.59 164.45 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -161.56 117.88 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 6' ' ' LEU . 79.2 t -100.33 103.83 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.9 tm? -91.7 114.96 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -126.48 174.14 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER 175.62 117.63 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.318 -179.915 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.01 -154.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.507 ' C ' ' N ' ' A' ' 68' ' ' TYR . 77.6 mmt-85 -80.73 -84.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.695 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -49.6 -16.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 108.321 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.67 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.8 ' HA ' HD13 ' A' ' 10' ' ' LEU . 14.7 ttm -38.56 -94.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.685 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 8.3 t30 -59.36 -41.55 89.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.695 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 1.1 tp10 -50.66 -45.91 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.6 t -64.21 -47.32 80.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.972 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -45.61 -53.81 8.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 1.003 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.28 -49.32 13.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 110.351 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.587 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 12.7 mm-40 -47.6 -48.77 28.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.737 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.0 mm -67.2 -46.35 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.99 -69.3 0.1 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 1.003 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.93 -47.89 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -51.71 -40.8 60.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.737 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.27 -50.84 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -16.76 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.712 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -75.31 -41.22 57.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.431 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.3 m-85 -79.36 6.19 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t 53.01 46.73 26.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.046 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' TYR . 38.1 t -129.95 151.07 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.36 155.39 69.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.3 Cg_endo -74.99 -13.42 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.48 -10.44 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 32.7 m-20 -110.49 -1.96 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 87' ' ' PRO . 51.3 mt -95.69 136.1 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.534 ' CG2' ' CD ' ' A' ' 131' ' ' GLN . 0.8 OUTLIER -130.77 118.02 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.553 HG12 ' CG ' ' A' ' 132' ' ' ARG . 9.9 p -99.46 121.82 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.661 HD11 ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -101.48 146.33 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.021 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.6 t-160 -161.17 -179.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.475 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.5 p30 -112.61 139.68 48.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' HG13 ' A' ' 137' ' ' ILE . 13.6 t0 -144.79 150.09 36.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -80.61 103.39 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.7 -80.53 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.93 -76.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -86.94 165.08 16.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.692 ' CE1' ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.92 37.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.51 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -166.0 51.24 0.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.661 ' NE ' ' CD1' ' A' ' 191' ' ' TRP . 0.1 OUTLIER -135.88 173.2 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 110.363 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.048 HG23 HD11 ' A' ' 165' ' ' ILE . 0.8 OUTLIER -123.44 159.06 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 134' ' ' ARG . 6.7 ttt180 -149.51 91.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.819 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.52 138.81 40.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.927 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 4.8 mtpt -144.73 -179.65 6.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.76 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.2 tp -99.31 -95.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.76 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -133.67 58.27 0.69 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.502 1.127 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -143.24 56.15 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -161.12 -102.58 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER 63.34 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 34.58 80.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 115' ' ' HIS . . . 82.22 -123.67 6.17 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 114' ' ' GLY . 23.1 m80 51.23 101.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.99 -31.29 62.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.932 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -69.67 -71.0 1.05 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 118' ' ' LEU . 5.9 mt -49.35 -42.37 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' HG12 ' A' ' 122' ' ' VAL . 5.7 ttt180 -63.17 -48.09 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.0 t -57.62 -30.32 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.955 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.978 HG12 HD12 ' A' ' 125' ' ' LEU . 3.1 t -75.85 -39.78 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.744 HG23 ' CE2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -59.39 -45.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.422 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -75.26 -38.74 60.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.689 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.37 -50.46 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.978 HD12 HG12 ' A' ' 121' ' ' VAL . 17.7 mt -82.59 -21.62 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.722 ' O ' HG22 ' A' ' 127' ' ' THR . . . 73.77 9.63 79.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.7 OUTLIER 62.87 136.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 110.378 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 2.0 tmtt? -164.65 27.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.625 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 16.5 t0 93.78 22.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.744 ' CE2' HG23 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -54.86 170.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.37 1.044 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.534 ' CD ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.89 161.75 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.647 ' NH2' ' CE1' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -142.65 154.61 44.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' A' ' 106' ' ' LEU . 9.2 t -130.24 84.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mpp_? -83.72 161.86 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.021 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -112.87 148.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.21 102.15 2.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.1 pp -126.32 75.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 139' ' ' ARG . . . -87.21 158.44 30.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.561 ' HB2' ' CD2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER 177.48 74.92 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 110.32 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.76 3.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.434 1.755 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -73.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 143' ' ' ARG . . . -170.88 36.45 0.17 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 142' ' ' GLY . 3.1 mtt180 70.64 2.41 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 0.802 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -59.68 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.958 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -162.68 98.02 1.1 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.99 -51.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.09 90.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.958 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.06 -42.63 94.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.467 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 2.0 t80 -76.92 -21.18 55.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.655 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -74.35 -34.29 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.614 HD13 ' HE2' ' A' ' 17' ' ' TYR . 1.1 mp -110.33 45.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.553 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 1.1 mm-40 -68.42 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.591 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -177.23 45.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.644 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.7 OUTLIER -70.71 26.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.945 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.591 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.9 OUTLIER -30.11 -49.6 0.33 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.373 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.644 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.98 -62.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -51.09 -46.47 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.711 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.09 -28.43 63.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -58.11 -46.04 86.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.733 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.4 -34.36 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.971 ' O ' HG22 ' A' ' 165' ' ' ILE . 1.8 tt0 -76.1 -37.11 58.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -53.08 -50.43 82.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.0 -28.79 8.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.602 HG22 ' N ' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -61.92 -58.88 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.048 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -69.26 -53.41 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.714 ' N ' HD13 ' A' ' 165' ' ' ILE . 55.7 m -44.22 -45.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.493 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 28.7 tp60 -66.79 -43.55 83.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.856 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.22 -46.56 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 39.3 m-20 -67.75 -42.01 82.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.723 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -60.68 -39.54 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -63.65 -53.12 56.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 2.1 pt-20 -60.57 -41.87 95.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -69.8 -41.3 75.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.7 tt -51.97 -48.42 64.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.22 -24.92 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.88 -48.58 77.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.41 -72.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.301 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -159.31 -169.89 23.2 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -90.65 -11.61 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -54.32 -44.88 99.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.02 -37.41 2.03 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.4 1.737 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.784 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.38 -44.85 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.602 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.5 tt0 -68.49 -35.9 78.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.763 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 24.4 t-20 -81.75 -22.1 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.29 -58.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.814 HG22 HD11 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -62.94 -49.87 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.602 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.1 OUTLIER -75.01 9.05 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -137.64 89.1 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.661 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtp . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.507 0.194 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.15 137.46 46.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.17 68.74 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.588 1.18 . . . . 0.0 110.262 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.445 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.05 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -135.44 139.84 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -123.11 139.57 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.861 HG13 ' CG1' ' A' ' 91' ' ' ILE . 12.1 t -132.9 142.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -131.76 116.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.43 107.29 3.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -92.99 108.58 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.766 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.59 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -139.43 5.22 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.549 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 2.1 t-20 -135.56 126.63 17.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.99 -39.04 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -68.01 -130.53 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.818 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -164.75 -48.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 0.705 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -43.64 -45.69 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.875 ' O ' HG22 ' A' ' 20' ' ' THR . 0.4 OUTLIER -90.5 -18.63 24.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.818 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -71.27 -25.0 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -52.13 -40.45 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 17' ' ' TYR . 4.4 t -76.81 25.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.828 ' NE ' HG21 ' A' ' 162' ' ' VAL . 8.8 mmt180 65.9 21.91 11.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' GLY . 8.8 t-160 -68.63 11.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.59 ' HA ' ' CA ' ' A' ' 11' ' ' GLY . 64.6 t30 -125.31 26.75 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -54.05 -46.53 71.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.91 -59.17 6.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.5 t80 -75.05 -25.76 58.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.8 t -70.36 -38.96 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -79.07 -51.49 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.062 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.66 -32.55 63.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 3.3 m-20 -76.31 -56.8 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -46.04 -47.97 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.05 -47.74 76.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.177 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.783 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -60.38 -44.96 95.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.99 78.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' NH1' HD12 ' A' ' 31' ' ' LEU . 8.8 mpt_? -72.84 -49.82 27.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -83.81 19.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 67.96 -56.86 0.39 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.783 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 68.79 145.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.17 82.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 1.04 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -138.45 -155.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -154.28 -165.53 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.78 126.06 47.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.531 ' HB2' HG11 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -59.86 110.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.634 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -41.2 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -46.19 89.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.848 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -73.93 -46.71 42.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.41 60.36 0.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.172 . . . . 0.0 111.042 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.56 166.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.568 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 25.8 tp10 -71.9 150.68 43.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 21.6 m -146.04 114.38 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.04 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.13 107.99 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.815 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.34 126.4 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.79 -161.08 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.8 131.71 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.567 ' HB3' HD13 ' A' ' 177' ' ' ILE . 0.6 OUTLIER -179.3 -166.38 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 36.4 33.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ARG . . . 59.5 54.97 33.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' GLY . 1.4 mmt-85 160.01 158.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.06 170.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 pp -151.36 122.75 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.815 HG22 HG22 ' A' ' 52' ' ' THR . 24.9 t -105.95 99.13 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.062 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -101.51 101.94 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -119.96 176.23 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.713 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.27 123.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.7 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 -160.24 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 53.1 mmt-85 -77.07 -83.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.602 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.47 -18.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 108.33 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.7 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 19.9 m-85 59.53 -82.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.641 ' N ' HD13 ' A' ' 10' ' ' LEU . 1.3 ttm -37.29 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.646 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 47.9 m-20 -70.66 -45.26 65.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.602 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.4 OUTLIER -50.46 -37.81 40.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.685 ' N ' ' O ' ' A' ' 68' ' ' TYR . 92.6 p -70.47 -54.21 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.868 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.9 -51.43 4.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.925 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.31 -53.62 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 14.7 tp60 -42.19 -49.45 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.868 HG22 HD21 ' A' ' 125' ' ' LEU . 20.1 mt -66.99 -46.49 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.04 -67.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.925 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -46.5 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.848 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.02 -40.76 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.748 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.86 -49.68 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -17.03 61.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.711 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.1 t80 -75.45 -44.62 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -81.82 -12.44 58.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.0 t 55.08 47.52 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.537 HG22 ' OD1' ' A' ' 89' ' ' ASN . 4.5 p -107.48 158.36 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.547 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -80.2 156.51 74.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.658 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.03 -8.89 20.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.27 -16.12 62.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.791 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -108.76 0.17 20.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.667 ' CD1' HD22 ' A' ' 6' ' ' LEU . 4.6 mm -97.89 123.02 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.861 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -137.43 118.13 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 7.8 p -107.57 124.7 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.584 ' CD1' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -102.07 144.43 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 109.234 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.768 ' O ' HD12 ' A' ' 135' ' ' ILE . 11.2 t-160 -156.5 -178.39 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.704 ' OD2' HD21 ' A' ' 97' ' ' LEU . 5.0 p-10 -109.14 141.24 41.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.4 t0 -107.62 95.41 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.994 ' HB2' HG22 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -79.08 5.02 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -37.6 45.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -137.03 92.61 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.689 ' HA ' ' CA ' ' A' ' 137' ' ' ILE . 2.3 tm-20 -81.41 84.53 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CE1' ' HB2' ' A' ' 99' ' ' LEU . 1.8 m-85 -107.06 -12.62 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 136' ' ' GLY . . . 79.22 32.29 39.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.765 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp180 -124.15 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 0.813 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.828 HG23 HD11 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -109.1 160.61 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.36 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -150.0 109.26 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -121.54 130.26 53.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -149.4 178.04 9.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.546 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -111.32 -55.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.546 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -79.0 -72.31 1.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.24 -93.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . 135.62 60.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 118' ' ' LEU . 13.6 mt-10 64.43 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 0.774 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 92.19 50.23 2.66 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 52.19 71.04 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.425 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 25.5 m-70 -155.17 109.22 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.72 -28.56 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -67.04 -56.15 13.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.751 ' O ' HG12 ' A' ' 121' ' ' VAL . 3.5 mt -56.81 -52.43 65.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.447 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.6 ttt-85 -59.02 -32.14 69.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 14.8 t -73.47 -27.78 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.868 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.7 -43.15 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.884 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -65.77 -47.23 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -66.82 -37.96 85.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -75.7 -27.84 58.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.868 HD21 HG22 ' A' ' 76' ' ' ILE . 15.6 mt -85.01 -23.63 28.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.12 3.0 55.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.884 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -119.59 -157.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.372 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -177.16 62.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.469 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 13.2 m-20 -143.5 14.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.767 ' CZ ' HD13 ' A' ' 125' ' ' LEU . 39.0 m-85 -86.69 152.15 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.5 ' HG2' ' HA ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -101.08 162.81 12.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -143.43 150.12 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 106' ' ' LEU . 24.4 t -123.44 85.6 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -90.99 144.21 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.6 mp -104.59 147.53 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -89.0 97.34 2.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.689 ' CA ' ' HA ' ' A' ' 100' ' ' GLU . 1.8 pp -147.07 -164.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.562 ' C ' ' HB2' ' A' ' 100' ' ' GLU . . . 110.19 -120.21 5.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.606 ' NE ' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER -161.81 139.7 6.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.46 ' HD2' ' CD ' ' A' ' 139' ' ' ARG . 18.2 Cg_endo -75.05 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.544 ' HA ' ' CD2' ' A' ' 149' ' ' PHE . 18.0 Cg_endo -75.03 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.529 1.804 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 143' ' ' ARG . . . 171.38 86.15 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 142' ' ' GLY . 0.1 OUTLIER 35.27 45.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.725 . . . . 0.0 110.225 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 145' ' ' ASP . 14.1 ttmt -135.39 -111.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.645 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 42.0 m-20 -114.56 103.55 54.86 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.491 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.2 Cg_endo -75.11 -40.28 0.92 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.62 -44.53 64.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.645 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -59.08 -40.49 85.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.606 ' CE2' ' NE ' ' A' ' 139' ' ' ARG . 1.3 m-85 -78.63 -24.37 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.994 HG22 ' HB2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -66.14 -43.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.854 HD22 ' CD2' ' A' ' 17' ' ' TYR . 1.9 mt -112.12 36.98 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -53.93 -89.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.638 ' C ' ' H ' ' A' ' 155' ' ' THR . 15.2 t30 154.03 49.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.867 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -67.56 26.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.638 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -33.57 -47.14 0.64 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.683 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.99 -62.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.867 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -50.54 -47.52 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.8 mt-10 -70.84 -29.08 65.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.021 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.84 -45.58 86.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.215 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.677 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.17 -36.35 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.872 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.7 mm-40 -75.49 -36.84 60.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.828 HG21 ' NE ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -51.1 -53.04 52.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.021 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -26.65 10.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.619 HG23 ' CH2' ' A' ' 191' ' ' TRP . 0.4 OUTLIER -62.59 -58.31 8.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.41 -54.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 170' ' ' ALA . 68.8 m -42.8 -44.73 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.239 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -66.52 -45.57 79.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.513 ' HG2' ' CD2' ' A' ' 191' ' ' TRP . 10.6 tp60 -65.85 -45.02 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.767 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -71.28 -38.4 71.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.09 -47.26 75.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -67.57 -41.96 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.643 ' HB2' HG23 ' A' ' 188' ' ' VAL . . . -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -63.92 -52.18 61.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.7 OUTLIER -58.11 -47.8 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -62.78 -36.23 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.655 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.5 tt -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 55' ' ' SER . 65.2 mt -65.05 -30.96 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.389 1.056 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -57.02 -66.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 110.246 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.63 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.87 -174.9 28.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.433 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 19.7 ptp -90.61 -9.94 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 7.7 mm-40 -53.37 -43.74 96.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.01 -36.83 2.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.745 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.66 -45.4 90.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.5 tt0 -68.54 -36.31 78.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.96 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.98 -22.95 36.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.6 ttt180 -100.44 -58.72 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.745 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -64.86 -48.81 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -79.5 17.67 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.66 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.96 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -103.41 -42.37 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CH2' HG23 ' A' ' 164' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.499 0.19 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . . . -114.14 168.72 9.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -166.18 81.94 1.03 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.233 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.509 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.01 140.63 25.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.831 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -106.49 136.67 45.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.64 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -104.58 143.51 32.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 91' ' ' ILE . 2.8 m -132.61 141.32 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -129.92 123.0 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.64 113.17 4.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.839 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.48 103.04 15.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.241 -179.899 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.486 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.27 -149.47 10.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 22' ' ' HIS . 12.1 t-20 -137.45 117.8 10.5 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -1.66 11.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.51 -138.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.48 -86.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 0.703 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -51.49 -21.88 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.986 ' O ' HG22 ' A' ' 20' ' ' THR . 0.1 OUTLIER -99.45 -23.37 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.64 -25.34 62.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' C ' ' H ' ' A' ' 21' ' ' ARG . 1.5 tpt180 -68.46 -25.01 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.986 HG22 ' O ' ' A' ' 17' ' ' TYR . 6.3 t -72.28 7.22 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.624 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 85.39 11.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -69.55 11.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.629 ' HB3' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -124.85 18.73 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.104 HD23 HD13 ' A' ' 135' ' ' ILE . 1.2 tp -40.0 -46.72 2.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -52.16 -59.55 8.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -75.32 -20.19 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.629 HG23 ' HB3' ' A' ' 23' ' ' ASN . 1.9 t -76.11 -39.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.186 . . . . 0.0 109.251 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.521 HG11 ' CD1' ' A' ' 93' ' ' ILE . 4.2 p -80.16 -37.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.013 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -69.18 -35.15 75.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.578 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 11.9 t0 -74.32 -44.56 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -56.73 -51.27 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.17 61.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -78.13 -29.63 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -96.67 -44.46 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -32.97 72.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.55 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 89.25 -3.35 84.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . -42.34 172.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 69.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.177 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.792 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -62.13 -169.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -125.62 176.6 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -130.34 140.99 50.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' ALA . 49.2 t60 71.66 -75.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.77 -77.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -149.51 -66.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.976 ' CB ' HD11 ' A' ' 79' ' ' LEU . 13.9 t -50.23 -26.64 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.59 56.64 1.02 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.586 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -167.87 176.0 6.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.693 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.3 mm-40 -89.81 149.36 22.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.809 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -146.41 115.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -106.9 106.6 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.827 HG22 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -99.76 122.55 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.73 -162.24 10.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.1 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 1.5 mtt180 -154.02 113.65 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 5.3 m -143.41 -178.41 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.946 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.705 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 44.21 25.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.2 50.59 38.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 2' ' ' ALA . 0.3 OUTLIER 176.13 156.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.737 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.5 m -69.22 163.81 24.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.93 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.6 pp -154.68 121.77 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.827 HG22 HG22 ' A' ' 52' ' ' THR . 77.7 t -109.23 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.013 HD11 ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -92.46 109.21 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -120.4 171.09 8.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.619 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -177.01 120.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.636 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.04 -156.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 22.2 mmt85 -83.4 -86.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -45.79 -20.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.75 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.8 m-85 62.92 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.767 ' CA ' HD13 ' A' ' 10' ' ' LEU . 57.4 ttp -35.76 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' N ' ' HG2' ' A' ' 69' ' ' MET . 7.9 m120 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -59.2 -42.11 90.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.212 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.75 ' N ' ' O ' ' A' ' 68' ' ' TYR . 36.3 t -69.67 -52.41 26.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.597 1.186 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.975 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.81 -52.97 14.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.36 -45.47 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 6.7 tp60 -45.02 -49.22 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.726 ' O ' ' N ' ' A' ' 80' ' ' ALA . 15.8 mm -68.63 -47.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.85 -68.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -74.93 -46.73 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.976 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.37 -40.46 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.64 -49.39 59.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -16.87 59.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.793 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -77.64 -43.17 32.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.771 ' HB3' HG23 ' A' ' 85' ' ' VAL . 12.1 m-85 -84.95 -16.71 40.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t 51.27 45.78 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.771 HG23 ' HB3' ' A' ' 83' ' ' TYR . 84.7 t -101.11 173.51 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.646 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -73.04 123.96 90.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.804 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.3 Cg_endo -75.04 -13.03 21.44 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.27 0.87 15.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.831 ' OD1' HD23 ' A' ' 5' ' ' LEU . 7.2 m-20 -113.28 -11.74 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 87' ' ' PRO . 13.8 mt -90.71 133.53 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.963 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -137.28 142.88 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.814 HG22 ' CG2' ' A' ' 8' ' ' VAL . 23.1 t -119.44 127.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.637 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -110.7 142.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.725 ' O ' HD12 ' A' ' 135' ' ' ILE . 4.3 t60 -158.05 176.95 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.601 ' CB ' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -100.37 142.11 32.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 137' ' ' ILE . 8.7 t0 -148.2 150.7 34.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.88 115.01 22.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.445 ' C ' HD12 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -114.37 -84.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.372 179.924 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 98' ' ' ASP . 5.0 mp -137.45 -70.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.4 tm-20 -86.03 164.49 17.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -94.82 22.48 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.432 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -155.08 54.62 0.42 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.823 ' O ' HG23 ' A' ' 135' ' ' ILE . 5.0 tmm_? -134.61 156.33 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.005 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.3 pp -122.3 156.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 134' ' ' ARG . 16.1 ttt180 -146.17 113.15 6.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.818 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.1 132.9 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.45 -179.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.795 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -112.73 -83.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.478 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -94.05 -81.22 1.51 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.4 140.49 0.25 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.14 -162.06 23.57 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 132' ' ' ARG . 3.6 tm-20 62.68 81.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.47 -81.61 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.12 67.86 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.37 129.35 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.567 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -37.6 74.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -63.99 -64.53 3.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.443 HD11 ' HG2' ' A' ' 134' ' ' ARG . 10.5 mt -53.01 -45.18 67.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 122' ' ' VAL . 6.1 ttt180 -64.74 -34.8 79.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.2 t -64.82 -36.64 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 1.002 HG12 HD12 ' A' ' 125' ' ' LEU . 5.8 t -74.51 -39.48 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.545 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -63.35 -47.42 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.21 -41.66 73.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.681 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -63.69 -46.12 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.002 HD12 HG12 ' A' ' 121' ' ' VAL . 13.3 mt -79.4 -21.91 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 127' ' ' THR . . . 71.13 12.87 72.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.67 ' HA ' ' CZ ' ' A' ' 130' ' ' PHE . 0.6 OUTLIER 89.13 120.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.398 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.594 ' HB3' ' CG ' ' A' ' 87' ' ' PRO . 23.1 mmtt -152.88 19.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.76 ' O ' HD11 ' A' ' 108' ' ' ILE . 1.1 m-20 63.02 23.46 14.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 1.202 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.791 ' HD2' HD13 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -48.36 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.588 ' OE1' HG22 ' A' ' 91' ' ' ILE . 83.7 mt-30 -116.26 155.87 27.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -141.38 147.94 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.257 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 106' ' ' LEU . 18.8 t -140.24 83.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -91.13 144.2 25.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.104 HD13 HD23 ' A' ' 24' ' ' LEU . 2.7 mp -94.29 148.91 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 98' ' ' ASP . . . -99.47 91.53 1.06 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.8 pp -110.76 77.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -87.73 -112.86 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.128 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.531 ' O ' ' CE1' ' A' ' 149' ' ' PHE . 0.0 OUTLIER 66.69 57.49 0.94 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.552 0.796 . . . . 0.0 110.24 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.526 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.5 Cg_endo -75.01 163.57 35.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -52.2 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 143' ' ' ARG . . . 168.09 44.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 142' ' ' GLY . 0.3 OUTLIER 79.33 6.9 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.504 ' CD ' ' OD2' ' A' ' 145' ' ' ASP . 1.4 ttmt -75.17 -81.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.645 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 31.3 m-20 -131.89 102.63 14.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.2 Cg_endo -75.01 -40.67 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 110.95 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.46 -45.52 62.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.645 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 1.5 t80 -75.79 -35.13 60.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -60.22 -33.73 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.663 HD13 ' HE1' ' A' ' 17' ' ' TYR . 28.4 mt -91.0 30.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.717 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.3 mm-40 -52.92 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.717 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 20.8 t30 134.91 46.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.869 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -69.99 33.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.824 HG23 ' HD3' ' A' ' 156' ' ' PRO . 0.1 OUTLIER -16.28 -52.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.488 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.824 ' HD3' HG23 ' A' ' 155' ' ' THR . 18.5 Cg_endo -75.07 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.869 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -44.85 -36.68 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.7 mt-10 -77.88 -31.51 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -57.86 -44.0 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.692 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -80.48 -33.63 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.591 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 2.9 tp10 -75.62 -34.87 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.224 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -58.1 -51.94 78.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -74.97 -24.63 12.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -59.89 -57.77 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.942 ' CG1' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -76.86 -45.05 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.872 ' N ' HD13 ' A' ' 165' ' ' ILE . 31.6 m -48.8 -45.44 40.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.262 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -69.38 -44.95 70.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.619 ' CD ' ' CH2' ' A' ' 191' ' ' TRP . 0.2 OUTLIER -61.88 -41.81 98.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.22 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 1.005 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.63 -42.15 78.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.25 -41.77 72.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -67.81 -44.89 76.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.094 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.75 -42.95 85.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.5 m -64.6 -52.25 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.48 -46.38 83.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.486 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.4 tt -54.27 -49.86 68.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.705 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 15.3 mt -73.91 -25.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.85 -29.68 68.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.4 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.43 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -162.95 174.59 39.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -88.06 -19.08 27.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -45.73 -49.25 37.49 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.9 -40.2 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.87 -35.76 81.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.47 -41.41 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 24.1 t-20 -78.34 -20.28 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.464 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.75 -51.93 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.094 HG21 ' HB2' ' A' ' 172' ' ' ALA . 15.7 t -89.36 -57.96 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.3 t-80 -68.46 24.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.634 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -136.57 66.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CH2' ' CD ' ' A' ' 168' ' ' GLN . 10.6 m95 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.008 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.482 0.182 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.25 127.23 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -176.49 86.19 0.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.0 -174.44 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.539 1.81 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -133.76 140.76 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 7' ' ' VAL . 4.5 tt -106.68 144.74 32.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.783 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -128.19 140.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.774 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.66 124.74 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.34 115.29 5.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.845 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -102.01 100.01 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.42 -148.56 7.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' HIS . 3.5 m-20 -134.99 127.5 18.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.89 -152.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.64 -77.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -51.87 -32.31 31.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 1.087 ' CD1' HD11 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -92.42 -20.51 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -73.07 -39.78 65.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' A' ' 21' ' ' ARG . 35.3 mmt-85 -42.42 -27.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . 1.048 HG21 HD13 ' A' ' 151' ' ' LEU . 14.2 p -77.19 25.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.64 HH21 HG21 ' A' ' 27' ' ' VAL . 8.9 mmp_? 66.94 10.68 7.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -62.57 4.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.674 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.9 t-20 -125.75 33.73 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.9 HD13 HD13 ' A' ' 135' ' ' ILE . 4.4 mt -62.6 -42.46 99.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -55.44 -47.05 78.43 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.609 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.7 t80 -83.0 -25.24 32.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 23' ' ' ASN . 17.0 t -76.59 -40.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.633 HG22 ' SG ' ' A' ' 166' ' ' CYS . 61.5 t -80.04 -36.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -64.68 -44.52 90.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.195 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 26.6 t0 -70.29 -43.24 70.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -55.15 -51.64 65.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.1 -61.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -59.68 -19.95 52.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -80.1 -28.66 39.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -97.81 -42.53 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 55' ' ' SER . 0.3 OUTLIER -64.35 -164.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.99 27.61 19.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -99.47 118.43 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 48.43 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 2.0 t80 -79.62 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.588 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER 157.59 -160.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -108.21 151.09 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.57 169.67 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -66.09 -149.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.6 mtp85 -34.2 149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.479 ' C ' HD11 ' A' ' 79' ' ' LEU . 15.8 m 35.84 30.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -115.85 -69.81 0.45 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 46.72 -172.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.609 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -71.69 135.67 46.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.654 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -154.18 158.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.63 1.206 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -164.21 109.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.963 HG22 HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -93.96 126.81 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 -162.85 9.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mtp-105 -154.54 131.13 10.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.226 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.891 ' HB3' HD11 ' A' ' 36' ' ' LEU . 5.7 p -163.43 -178.12 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 174' ' ' GLU . . . 41.46 27.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.33 52.17 42.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.596 1.185 . . . . 0.0 111.013 -179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' SER . 2.1 mmt-85 178.37 154.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.428 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 3.2 m -77.24 162.68 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 55' ' ' SER . 3.6 pp -149.15 126.99 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.963 HG22 HG22 ' A' ' 52' ' ' THR . 14.5 t -107.33 106.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.693 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -99.26 127.0 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.211 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.538 ' CB ' HG22 ' A' ' 50' ' ' VAL . . . -143.28 162.72 34.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 177.66 122.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.08 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 12.3 mmt85 -78.2 -81.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.588 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -46.96 -22.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 108.265 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.889 ' O ' ' N ' ' A' ' 72' ' ' SER . 26.2 m-85 60.95 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.845 ' HA ' HD13 ' A' ' 10' ' ' LEU . 4.0 ttt -28.29 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.617 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -71.88 -48.88 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.588 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 8.6 tt0 -51.34 -35.56 38.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.889 ' N ' ' O ' ' A' ' 68' ' ' TYR . 84.4 p -70.59 -56.49 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.056 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.863 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -42.33 -48.84 5.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.959 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.81 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.573 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.2 tp60 -38.9 -50.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 18.8 mt -66.02 -43.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.35 -70.58 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.959 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.03 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.22 -40.22 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -68.06 -50.89 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -15.92 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.687 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -76.1 -44.27 39.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.529 ' HB3' HG23 ' A' ' 85' ' ' VAL . 11.8 m-85 -82.26 -12.15 58.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.2 t 58.14 54.62 5.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 110.048 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.529 HG23 ' HB3' ' A' ' 83' ' ' TYR . 46.1 t -104.87 167.95 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.527 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -88.64 154.16 50.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.497 ' CG ' ' HB2' ' A' ' 129' ' ' ASP . 18.3 Cg_endo -75.07 -24.73 12.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.63 1.7 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.6 m-20 -111.61 -24.32 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.3 tt -88.98 135.81 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.783 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -136.63 141.0 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.774 HG22 ' CG2' ' A' ' 8' ' ' VAL . 24.9 t -117.88 130.68 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.774 HG22 ' HB ' ' A' ' 133' ' ' VAL . 2.1 pt -110.36 148.02 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.363 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.605 ' O ' HD12 ' A' ' 135' ' ' ILE . 6.5 t-160 -155.4 170.78 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.868 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -98.64 146.06 26.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.649 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.06 157.99 32.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.951 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.04 HD12 ' O ' ' A' ' 139' ' ' ARG . 1.0 OUTLIER -99.16 101.4 12.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 138' ' ' GLY . 85.7 m-20 -88.72 -74.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -135.47 -79.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.2 tm-20 -92.19 170.75 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.617 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -91.94 70.83 5.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.581 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 161.67 48.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.736 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -136.52 163.15 31.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.465 0.744 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 1.06 HG23 HD11 ' A' ' 165' ' ' ILE . 0.8 OUTLIER -122.14 165.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.51 103.56 3.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.796 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.28 140.3 37.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -159.1 173.07 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -108.18 -54.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -82.27 -67.53 1.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 62.39 -143.47 48.67 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -99.14 -63.87 0.84 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.5 tt0 68.24 -63.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 0.735 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . -36.38 -65.29 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.8 -45.34 93.61 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.409 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -61.25 122.61 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.541 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -45.76 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.41 -61.38 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.734 HD13 ' HD3' ' A' ' 132' ' ' ARG . 11.5 mt -53.37 -46.89 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.6 ttt180 -58.81 -35.31 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -69.15 -35.11 76.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.863 HG22 ' HA2' ' A' ' 73' ' ' GLY . 27.2 t -65.92 -44.11 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.788 HG13 ' O ' ' A' ' 127' ' ' THR . 38.5 t -71.13 -30.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.84 -39.5 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -72.74 -44.5 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.09 HD13 ' CE1' ' A' ' 130' ' ' PHE . 13.3 mt -79.74 -24.31 41.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 64.93 5.93 21.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.409 1.068 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.788 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -98.39 -152.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.411 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -179.6 49.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.497 ' HB2' ' CG ' ' A' ' 87' ' ' PRO . 0.9 OUTLIER -132.57 -0.85 3.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 1.09 ' CE1' HD13 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -66.63 156.03 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.449 ' OE1' HG22 ' A' ' 91' ' ' ILE . 29.1 mt-30 -100.53 159.79 14.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.734 ' HD3' HD13 ' A' ' 118' ' ' LEU . 12.0 mtt-85 -133.34 149.99 51.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.234 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.774 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.3 t -144.14 81.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.607 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.9 mtp180 -86.43 145.19 26.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.9 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 mt -96.36 150.58 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 96' ' ' ASP . . . -109.79 102.52 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.7 pp -119.45 82.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . 104.47 171.87 24.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 1.04 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -72.96 170.59 13.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.329 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 98' ' ' ASP . 18.2 Cg_endo -75.06 174.18 13.24 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.582 1.833 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.43 ' HB3' ' CB ' ' A' ' 146' ' ' PRO . 18.4 Cg_endo -74.94 158.75 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.421 1.748 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -178.67 -44.56 0.07 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.728 ' O ' ' N ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -173.44 -149.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 0.728 . . . . 0.0 110.237 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 145' ' ' ASP . 1.4 ttmt 54.46 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.749 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 19.4 p30 167.25 94.16 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.43 ' CB ' ' HB3' ' A' ' 141' ' ' PRO . 18.5 Cg_endo -74.91 -52.79 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.26 78.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.749 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -26.18 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.606 HG12 HD23 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -81.71 -30.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 1.087 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.8 mm? -97.9 39.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.726 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 39.4 tt0 -61.35 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.726 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 18.6 t30 132.4 45.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.864 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -72.67 28.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.605 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.99 -52.51 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.73 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.96 -72.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.864 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.86 11.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.4 mm-40 -75.17 -30.42 60.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.999 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.759 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.36 -34.9 58.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 1.008 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.1 mm-40 -76.23 -37.46 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.0 t -51.67 -49.36 83.51 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.999 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.7 Cg_endo -74.94 -30.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.456 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 42.7 m -62.73 -59.04 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.06 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.5 -53.27 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.838 ' N ' HD13 ' A' ' 165' ' ' ILE . 50.9 m -44.9 -49.36 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 108.267 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.95 -47.02 84.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.52 ' HB3' HG13 ' A' ' 188' ' ' VAL . 11.1 mm100 -61.36 -47.36 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 1.032 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.91 -44.66 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -68.1 -47.21 68.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.057 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -58.8 -44.97 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -60.66 -50.68 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 56' ' ' ALA . 2.2 pt-20 -62.83 -40.19 96.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -44.92 79.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 181' ' ' MET . 7.4 tp -52.16 -53.8 38.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.28 -26.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 179' ' ' GLN . 1.2 tt0 -57.14 -63.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 179' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 178' ' ' GLU . 2.6 mt-30 157.92 28.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.19 125.18 1.73 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.485 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 0.0 OUTLIER -117.17 -28.64 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 0.709 . . . . 0.0 111.042 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.5 mt-10 -68.72 -37.73 10.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.96 -39.27 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.84 -38.26 90.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -70.87 -39.86 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 1.032 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 31.5 m-20 -82.11 -21.87 36.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -91.16 -53.51 4.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.057 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 50.4 t -86.44 -55.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -72.6 22.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 1.032 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -84.32 -50.35 7.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.581 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.2 p-90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 107.963 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.488 0.185 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.84 147.58 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 3.0 pt-20 -178.64 76.82 0.21 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.59 8.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.559 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -133.39 138.37 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.693 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -114.25 140.69 48.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.841 HG13 ' CG1' ' A' ' 91' ' ' ILE . 14.9 t -130.44 144.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.785 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.44 121.27 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.02 118.23 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 72' ' ' SER . 0.1 OUTLIER -94.73 108.34 20.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -124.54 -157.21 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.599 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 1.3 m120 -133.72 120.46 15.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.04 -12.0 21.42 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -57.87 -121.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.418 1.074 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.75 -74.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 0.83 . . . . 0.0 109.235 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.2 -38.62 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.929 ' O ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER -89.05 -21.89 23.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.58 67.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -54.42 -27.68 38.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 17' ' ' TYR . 1.6 t -75.71 19.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.47 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.594 ' C ' ' H ' ' A' ' 23' ' ' ASN . 1.8 mtt180 76.81 5.65 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.599 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 13.4 t-160 -64.56 5.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.569 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 21' ' ' ARG . 32.9 t30 -122.65 23.02 9.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 135' ' ' ILE . 3.3 mt -47.87 -43.13 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.717 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -51.14 -59.41 8.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.408 1.067 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 24.6 t80 -76.78 -23.62 52.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -72.25 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 t -77.07 -54.77 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.06 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -54.19 -36.07 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.1 m-20 -68.65 -53.38 22.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.37 -53.18 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.892 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -59.45 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -62.56 -24.63 67.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.95 -32.43 57.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.59 -43.47 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.31 19.42 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 36.36 29.76 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.716 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -38.71 149.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 0.714 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -133.64 40.38 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.73 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -62.71 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -156.45 -164.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.07 146.94 9.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -129.25 -170.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.07 -173.23 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 46' ' ' SER . 9.4 ttm180 51.55 -100.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.635 ' CB ' HD21 ' A' ' 79' ' ' LEU . 65.7 m -110.02 28.89 8.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -98.28 -66.33 0.88 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 49.3 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.688 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 2.6 mm-40 -71.16 145.45 49.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.73 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -162.77 133.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.662 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -137.75 117.48 13.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.26 125.96 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -119.41 99.27 0.75 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.561 1.163 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG3' ' OG ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -113.93 110.45 20.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 166.86 -168.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.68 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 52.9 21.9 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 71.22 42.37 57.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.599 1.187 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.0 OUTLIER 173.86 159.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 2.4 t -107.84 169.64 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.9 pp -163.1 124.64 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG11 HD11 ' A' ' 6' ' ' LEU . 35.0 t -103.44 94.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.06 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -93.12 118.8 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -141.26 177.39 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.721 ' HE2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 174.75 131.73 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.694 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.97 -155.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.9 mmt180 -83.95 -84.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.571 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -45.11 -21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.297 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.815 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 m-85 61.28 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' TYR . 31.0 ttm -29.71 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -70.28 -33.64 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.571 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER -58.89 -34.88 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 68' ' ' TYR . 22.9 t -77.51 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.937 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -40.0 -52.53 3.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.31 -47.22 44.44 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 0.746 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.8 tt0 -43.14 -51.18 6.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.814 HG22 HD21 ' A' ' 125' ' ' LEU . 20.5 mt -67.31 -45.8 85.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.14 -69.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.994 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.93 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.635 HD21 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.32 -40.19 61.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.77 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.89 -51.11 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -73.07 -16.33 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.55 -45.08 40.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.482 ' HB3' HG23 ' A' ' 85' ' ' VAL . 17.3 m-85 -88.16 -1.42 58.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.3 t 54.87 46.06 25.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.504 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 79.6 t -105.01 146.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.513 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.18 154.54 69.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.828 ' HG3' HG21 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.12 -12.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -15.7 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.693 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.4 p30 -110.06 -12.81 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.485 ' HB ' ' HA ' ' A' ' 87' ' ' PRO . 90.4 mt -86.34 130.4 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.841 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -137.85 118.88 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.785 HG22 ' CG2' ' A' ' 8' ' ' VAL . 11.4 t -103.21 134.41 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.95 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -114.43 143.83 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.519 ' O ' ' N ' ' A' ' 135' ' ' ILE . 0.2 OUTLIER -158.35 177.33 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.625 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.688 ' CB ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -98.3 142.8 29.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 135' ' ' ILE . 9.2 t0 -148.78 174.07 12.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.663 HD22 ' HD3' ' A' ' 139' ' ' ARG . 0.8 OUTLIER -103.28 106.29 16.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.83 -65.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.4 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 2.3 mp -124.43 -120.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -87.16 -169.67 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -91.85 50.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -174.2 42.44 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.593 ' HG2' ' CZ2' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -135.23 156.99 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 0.813 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.905 HG23 HD11 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -115.33 164.5 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 134' ' ' ARG . 12.0 tpt180 -149.81 97.62 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.859 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.36 130.52 52.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -152.46 -178.75 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.673 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -131.8 -87.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -42.1 -82.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.83 -120.09 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.9 49.82 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 44.47 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 118' ' ' LEU . . . -49.51 143.42 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -45.43 97.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.67 125.13 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.73 . . . . 0.0 109.549 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -56.8 -26.01 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.78 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.86 -62.29 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.432 1.082 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 113' ' ' GLY . 0.8 OUTLIER -58.2 -42.37 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.483 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -61.23 -33.68 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -75.36 -30.74 60.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.937 HG22 ' HA2' ' A' ' 73' ' ' GLY . 48.0 t -71.58 -43.12 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.04 -43.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.402 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -71.42 -37.25 71.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -71.91 -47.89 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.814 HD21 HG22 ' A' ' 76' ' ' ILE . 31.1 mt -77.62 -23.12 49.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.68 2.04 48.69 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.828 HG21 ' HG3' ' A' ' 87' ' ' PRO . 13.5 t -126.71 177.53 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.617 0.834 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.538 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -142.42 18.59 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 9.22 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 2.1 p90 -86.73 164.09 16.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 30.2 mt-30 -100.57 156.83 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -134.31 147.78 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.95 ' HB ' HG22 ' A' ' 93' ' ' ILE . 19.7 t -133.1 81.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -86.53 144.04 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -96.86 136.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -90.34 104.08 3.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.565 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 3.1 pt -105.89 154.96 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . -28.81 -96.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.663 ' HD3' HD22 ' A' ' 97' ' ' LEU . 45.9 ttt180 34.0 83.41 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.224 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 18.4 Cg_endo -75.04 147.65 34.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.5 Cg_endo -74.99 53.79 3.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -112.87 -178.64 19.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -104.31 1.51 30.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.507 ' CE ' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -60.71 -53.37 58.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.868 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER 158.25 81.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -55.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.65 -44.58 81.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.868 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -59.03 -36.13 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 3.2 t80 -72.41 -30.53 64.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.548 ' CG2' HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -72.3 -34.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.531 HD13 ' CE1' ' A' ' 17' ' ' TYR . 39.4 mt -92.47 28.38 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.616 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.2 mm-40 -65.72 -104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.617 ' C ' ' H ' ' A' ' 155' ' ' THR . 10.6 t30 145.56 49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.853 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.09 29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.617 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -22.75 -51.73 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.6 1.187 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.705 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.92 -68.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.853 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.15 -40.43 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.646 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -75.01 -30.91 61.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.2 -43.67 87.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.707 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.44 -34.19 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 1.022 ' O ' HG22 ' A' ' 165' ' ' ILE . 10.1 mm-40 -74.72 -36.03 62.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.646 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -56.61 -52.15 75.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.91 -24.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.59 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.9 m -66.23 -61.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.022 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.05 -53.66 31.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.658 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -45.69 -47.6 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.178 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -57.9 -47.44 82.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.56 ' CG ' HG13 ' A' ' 188' ' ' VAL . 1.1 tp-100 -64.53 -48.27 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.679 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -65.78 -36.18 82.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -59.1 -42.52 90.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.2 m-20 -65.79 -44.85 84.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.962 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -61.37 -37.52 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 5.2 m -62.89 -51.32 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.77 -47.62 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.81 -35.68 81.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.5 tt -55.35 -52.18 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 56' ' ' ALA . 26.5 mt -72.33 -23.79 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.6 -41.83 83.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.082 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.19 -71.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.42 176.35 35.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 8.6 ptp -90.48 -16.31 29.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 6.2 mt-10 -50.49 -46.33 84.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.02 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.946 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -65.42 -39.01 91.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 189' ' ' HIS . 4.8 tt0 -70.7 -39.2 73.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.99 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.3 t-20 -81.3 -19.62 42.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 1.3 ttt-85 -95.16 -53.03 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.962 HG21 ' HB2' ' A' ' 172' ' ' ALA . 75.8 t -88.11 -57.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 185' ' ' GLN . 26.7 m80 -71.82 21.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.99 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -84.54 -41.69 16.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 103' ' ' ARG . 1.4 p-90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.56 0.219 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.2 32.84 4.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.32 136.09 10.67 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -129.14 137.64 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.858 HD23 ' N ' ' A' ' 7' ' ' VAL . 7.7 tt -106.59 149.24 27.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.926 HG12 HG12 ' A' ' 91' ' ' ILE . 15.6 m -132.38 141.06 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -128.38 124.64 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.71 110.18 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -97.05 97.01 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.71 -143.16 6.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.155 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 2.3 t30 -135.24 127.37 17.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.1 23.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' ALA . . . 74.73 162.26 9.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.425 1.078 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.763 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -39.55 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 m120 37.86 -139.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.584 ' HB3' HD11 ' A' ' 151' ' ' LEU . 2.3 m-85 -69.12 -14.85 63.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -48.15 -24.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 17' ' ' TYR . 3.3 tpt180 -68.39 -45.91 71.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.708 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 44.3 p -67.95 -2.42 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.982 ' NH1' HG21 ' A' ' 27' ' ' VAL . 3.3 tpp180 104.12 13.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CB ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -71.28 14.57 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.459 1.099 . . . . 0.0 109.655 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.572 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.4 t-20 -123.17 12.7 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.105 HD13 HD13 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -39.72 -45.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -47.01 -56.68 7.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 59.4 t80 -83.95 -23.13 31.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.982 HG21 ' NH1' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -70.47 -45.18 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.726 HG23 HD23 ' A' ' 24' ' ' LEU . 1.8 t -79.79 -45.96 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.757 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.5 -35.69 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' ALA . 29.1 t0 -73.92 -53.38 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.66 -48.28 75.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD12 HG13 ' A' ' 28' ' ' VAL . 4.5 mt -59.85 -59.25 5.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -61.11 -19.04 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.72 -29.26 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.63 -42.27 10.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.344 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -19.42 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.88 -14.83 60.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 33' ' ' ALA . . . -64.47 146.2 54.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.19 49.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 1.7 t80 -61.07 -118.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 175.93 -161.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -127.36 150.7 49.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ALA . 22.9 m-70 -121.87 152.59 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.572 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -173.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.4 ttp180 37.41 -144.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.423 ' C ' HD11 ' A' ' 79' ' ' LEU . 2.5 p -67.58 56.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -128.99 -52.35 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.58 -171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.578 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 12.8 tp10 -70.07 147.24 50.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 71.7 t -156.68 152.4 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -163.75 106.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -86.19 147.99 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 60' ' ' LEU . . . -148.6 -165.84 12.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.98 130.62 13.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 0.822 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -175.91 179.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 174' ' ' GLU . . . 44.77 25.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 66.8 41.89 93.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' SER . 5.4 tpm_? -175.4 154.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.89 164.61 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.4 OUTLIER -139.92 128.05 22.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.198 -179.917 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.48 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 94.1 t -107.97 96.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.857 ' HA ' HG23 ' A' ' 7' ' ' VAL . 2.1 tm? -94.3 121.81 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.499 ' C ' ' HD2' ' A' ' 64' ' ' LYS . . . -142.25 167.64 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.608 ' NZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -176.55 126.2 0.32 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 -179.919 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.03 -155.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.2 mmt180 -80.55 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.653 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.43 -16.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 108.342 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.68 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.0 m-85 60.69 -82.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.813 ' HA ' HD13 ' A' ' 10' ' ' LEU . 24.5 ttm -37.71 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.666 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 10.4 t-20 -59.54 -42.92 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.653 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.3 OUTLIER -50.45 -42.42 54.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 39.8 t -65.59 -51.51 59.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.868 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -43.77 -51.46 6.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.935 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.45 -54.48 6.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.569 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -43.0 -49.28 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -66.53 -44.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.0 -69.57 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.935 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.96 -47.19 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -53.49 -41.21 66.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.969 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.14 -50.16 62.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.73 61.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.3 t80 -73.42 -43.34 60.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.576 ' O ' HG23 ' A' ' 85' ' ' VAL . 6.8 m-85 -78.95 1.5 23.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 p 52.14 46.96 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 83' ' ' TYR . 79.3 t -127.21 151.18 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' OD1' ' A' ' 89' ' ' ASN . . . -83.01 157.98 65.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.568 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.96 -9.11 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.434 1.754 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -19.39 57.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -102.94 -17.73 15.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.755 HD13 HD12 ' A' ' 76' ' ' ILE . 33.2 mt -86.05 134.92 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.926 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -136.97 123.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.6 p -102.03 137.0 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.957 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -114.62 147.08 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.979 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.2 t60 -153.64 167.05 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.415 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -91.79 142.1 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -154.12 167.41 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.647 HD21 HG23 ' A' ' 150' ' ' VAL . 1.4 mp -99.0 133.03 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.46 ' OD1' HD12 ' A' ' 99' ' ' LEU . 11.5 t0 -126.63 -85.49 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.46 HD12 ' OD1' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -136.44 -74.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -88.99 166.2 14.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.74 55.46 2.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 175.94 49.01 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -134.07 163.09 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 0.726 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.61 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -123.06 165.96 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.8 mmt180 -147.77 106.49 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.801 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.8 139.08 41.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 165.71 34.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -105.21 -54.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.499 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -85.87 -95.33 0.79 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.428 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . 75.7 -85.58 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.66 119.25 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.586 ' CD ' HG21 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -38.85 -55.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 53.68 -129.38 41.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . -79.48 62.96 4.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 114' ' ' GLY . 61.7 m-70 -147.73 106.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.584 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.07 -37.34 78.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.81 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.86 -65.92 3.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 122' ' ' VAL . 8.5 mt -53.11 -50.15 65.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -57.68 -34.7 69.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.5 m -70.19 -30.62 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.868 HG22 ' HA2' ' A' ' 73' ' ' GLY . 15.4 t -71.07 -42.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 127' ' ' THR . 10.3 t -70.06 -33.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.5 -37.85 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.79 -47.43 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.969 HD21 ' HB3' ' A' ' 80' ' ' ALA . 15.1 mt -81.24 -23.52 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 68.33 4.69 38.51 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.922 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -118.0 176.11 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.549 ' HE2' ' CE1' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -143.03 62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -131.13 18.25 4.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.718 ' CE1' HG22 ' A' ' 122' ' ' VAL . 30.9 p90 -90.99 172.18 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.553 ' OE1' HG22 ' A' ' 91' ' ' ILE . 33.7 mt-30 -115.7 159.11 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.428 ' NH1' ' HA3' ' A' ' 110' ' ' GLY . 0.3 OUTLIER -130.67 147.75 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.957 ' HB ' HG22 ' A' ' 93' ' ' ILE . 8.2 t -140.26 81.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -87.71 145.19 26.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.105 HD13 HD13 ' A' ' 24' ' ' LEU . 3.5 mp -96.99 149.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 98' ' ' ASP . . . -108.87 95.4 0.91 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.655 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -105.52 101.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . 63.98 169.69 1.67 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.558 1.161 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -107.77 139.71 20.88 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.568 0.804 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -169.55 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -97.69 -105.35 2.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -81.62 50.15 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -120.78 -75.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.896 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.3 m-20 158.64 94.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -59.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.424 1.75 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.92 83.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.896 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -57.73 -36.53 72.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.0 t80 -75.8 -25.39 56.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.904 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -77.02 -29.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.904 HD22 HG12 ' A' ' 150' ' ' VAL . 4.5 mm? -90.36 44.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.8 mm-40 -67.75 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.5 t30 145.64 45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.765 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -76.77 27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.563 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.26 -52.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.671 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.01 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.765 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -41.78 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.346 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.695 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.2 mt-10 -74.96 -29.55 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.992 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.23 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.731 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.87 -35.47 59.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.847 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.9 tp10 -77.76 -37.48 48.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.695 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -50.78 -49.29 80.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.992 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -36.89 2.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 168' ' ' GLN . 21.6 m -51.95 -53.48 40.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -76.73 -47.37 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.913 ' N ' HD13 ' A' ' 165' ' ' ILE . 53.8 t -48.64 -54.51 14.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.668 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 1.1 mm-40 -58.63 -52.97 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.235 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 164' ' ' THR . 0.0 OUTLIER -58.37 -48.91 79.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.565 ' CB ' HG12 ' A' ' 104' ' ' ILE . . . -70.8 -29.71 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.94 -47.42 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -70.22 -43.81 69.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.659 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.1 -41.65 97.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.9 m -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -56.45 -45.21 80.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.484 ' HA ' ' CB ' ' A' ' 178' ' ' GLU . 0.6 OUTLIER -68.43 -39.66 81.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.714 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.1 tt -50.59 -47.77 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.485 HG21 HD13 ' A' ' 5' ' ' LEU . 72.6 mt -81.56 -21.25 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.484 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 8.4 tm-20 -58.07 -49.2 77.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -139.13 -72.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -142.88 168.23 26.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.517 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 15.8 ptp -90.67 -9.48 46.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 0.808 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.551 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -46.72 -48.51 49.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.582 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -75.01 -37.14 2.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.719 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.88 -43.25 93.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -68.52 -38.31 80.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 1.003 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.97 -24.47 35.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.97 -56.38 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.719 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -71.73 -50.73 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -79.86 16.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 1.003 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -77.49 -54.82 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 188' ' ' VAL . 31.1 p90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.01 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.532 0.206 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.77 102.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.434 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 1.4 pt-20 179.92 96.44 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.19 31.89 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.603 1.844 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 59' ' ' SER . 2.0 mt -135.74 136.55 40.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.837 HD13 HG12 ' A' ' 90' ' ' ILE . 1.2 tt -122.35 139.11 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.223 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.903 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.9 139.41 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -132.66 122.27 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.02 110.95 3.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.814 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -96.27 105.26 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.265 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -133.58 -137.92 3.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.53 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 1.2 m120 -134.26 130.92 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.99 75.98 3.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 60.07 139.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . 164.0 136.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -54.17 -37.6 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.55 ' HE1' HD13 ' A' ' 151' ' ' LEU . 7.6 t80 -84.15 -18.47 36.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.895 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . . . -71.34 -38.5 71.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' ' C ' ' A' ' 20' ' ' THR . 17.4 mmt85 -46.58 -49.61 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.759 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 71.2 p -27.8 -43.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.759 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 160.89 -9.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' ' HD3' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -54.16 -3.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.1 t-20 -117.11 37.74 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -66.95 -52.19 46.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.635 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -48.0 -55.42 10.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.559 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 5.2 t80 -71.53 -26.99 62.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.8 t -65.81 -41.43 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 24' ' ' LEU . 61.0 t -72.35 -52.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.037 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.69 -45.93 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 12.8 t70 -60.83 -40.93 94.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -60.81 -62.1 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 2.9 mt -51.73 -33.71 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . . . -81.62 -24.99 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -93.12 -0.62 56.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -117.99 -40.96 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.354 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.973 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -81.37 -15.36 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.89 1.57 79.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -29.82 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.62 37.89 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.795 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -58.83 -153.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 -162.1 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.64 146.34 13.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ALA . 3.0 t-80 -132.91 171.84 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.48 -166.7 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 37.75 -144.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.433 ' CB ' HD21 ' A' ' 79' ' ' LEU . 60.3 m -70.24 51.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -126.63 -62.17 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.59 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.679 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 2.0 mt-10 -67.26 139.87 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.795 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -151.15 135.68 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.699 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -142.43 124.48 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 124.86 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.84 93.65 0.62 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.4 OUTLIER -114.08 109.16 18.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 165.45 -177.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 61.13 23.34 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 65.46 31.02 78.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -167.92 159.51 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.698 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m -107.13 162.63 13.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.945 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.99 127.49 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.386 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 7' ' ' VAL . 4.6 t -98.35 111.51 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.037 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.1 tm? -102.5 110.79 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -140.01 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.559 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.15 129.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.677 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.5 Cg_endo -74.92 -156.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.6 mmt180 -86.52 -83.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.602 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.84 -19.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.754 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.0 m-85 60.01 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.486 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -38.06 -79.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.98 -35.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.602 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -58.98 -38.83 80.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.754 ' N ' ' O ' ' A' ' 68' ' ' TYR . 24.3 t -73.06 -51.65 17.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.607 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -47.54 -50.12 19.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.57 -47.58 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.591 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -45.29 -50.61 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 80' ' ' ALA . 50.9 mt -68.09 -45.25 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.61 -69.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.424 1.75 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -53.78 -40.16 66.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.819 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.2 -49.85 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -14.71 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.719 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.5 t80 -77.48 -42.23 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -79.15 -15.42 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.5 p 46.1 42.98 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.588 HG22 ' H ' ' A' ' 86' ' ' ALA . 1.5 p -110.12 -179.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.588 ' H ' HG22 ' A' ' 85' ' ' VAL . . . -75.86 120.63 82.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.759 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.4 Cg_endo -74.97 2.95 6.04 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.3 -1.11 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.701 ' O ' ' N ' ' A' ' 6' ' ' LEU . 13.9 p30 -109.0 -13.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.837 HG12 HD13 ' A' ' 6' ' ' LEU . 8.5 mt -86.71 128.54 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.903 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -137.93 137.25 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 12.2 p -114.93 132.18 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.997 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -108.3 145.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.962 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.8 OUTLIER -152.53 -176.91 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -106.15 146.28 30.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.2 t70 -151.6 160.84 43.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.943 HD22 ' CG2' ' A' ' 150' ' ' VAL . 1.2 pt? -105.05 108.31 19.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.99 -81.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.546 HD13 ' NH2' ' A' ' 103' ' ' ARG . 7.5 mp -117.77 -101.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 138' ' ' GLY . 8.8 mp0 -88.23 175.92 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.599 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 1.1 m-85 -91.47 81.58 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.2 38.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.5 tmm_? -136.73 158.83 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.904 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.5 pp -119.7 152.03 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -138.57 100.27 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -107.02 149.47 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 1.6 mtmt -155.94 -172.07 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.711 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.6 tp -124.61 -85.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.711 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -68.83 -114.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 111' ' ' GLY . . . 37.3 94.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 110' ' ' GLY . . . -33.79 146.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 118' ' ' LEU . 1.8 pp20? -38.41 146.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.06 -53.94 20.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.92 50.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.417 ' HB2' HD12 ' A' ' 118' ' ' LEU . 11.9 m-70 -129.89 138.99 51.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 0.775 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 120' ' ' SER . 97.9 m-20 -63.41 -26.39 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 69' ' ' MET . . . -61.37 -65.12 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.16 -48.45 80.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.417 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -58.05 -38.22 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 19.7 m -69.75 -30.09 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.676 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -67.41 -45.95 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 14.8 t -73.18 -26.04 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.57 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -78.23 -45.61 22.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.819 HD21 ' CB ' ' A' ' 80' ' ' ALA . 13.4 mt -78.94 -22.29 45.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 73.31 9.17 76.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER 82.6 159.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 8.7 mmtt 159.0 -11.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 2.2 p30 151.26 -106.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.722 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 13.8 m-85 62.65 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.679 ' CG ' HD13 ' A' ' 108' ' ' ILE . 41.8 mt-30 -113.06 159.23 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 131' ' ' GLN . 5.1 mmt180 -134.38 148.05 50.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.997 ' HB ' HG22 ' A' ' 93' ' ' ILE . 4.2 t -136.51 83.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.1 mtt180 -88.89 161.11 16.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.962 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.3 mp -112.07 154.3 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -106.44 94.92 0.99 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.649 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.48 99.17 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . 59.4 171.89 0.48 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.15 161.64 60.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.477 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 127.4 10.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.399 1.736 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -165.35 -148.58 5.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.6 mmt-85 -83.17 51.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 110.261 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.4 -75.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.927 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -168.15 92.88 0.63 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -75.11 -57.98 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.432 1.754 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.506 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -56.71 -40.67 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.927 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -61.4 -43.14 99.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.427 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 8.2 t80 -77.07 -21.1 54.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.943 ' CG2' HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -74.77 -36.72 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.219 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.55 HD13 ' HE1' ' A' ' 17' ' ' TYR . 1.3 mt -116.5 52.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -63.9 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.557 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.2 t30 163.18 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.602 1.189 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.762 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -72.99 29.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.579 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.08 -52.75 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.706 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.99 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.762 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.52 -40.24 18.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.612 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -74.45 -31.94 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.32 -42.46 91.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.703 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.24 -34.76 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.391 1.057 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.637 ' O ' HG22 ' A' ' 165' ' ' ILE . 57.7 mm-40 -75.19 -35.98 61.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -55.26 -52.39 71.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -25.69 11.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.562 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.8 m -59.62 -58.45 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -74.69 -45.24 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.998 ' N ' HD13 ' A' ' 165' ' ' ILE . 16.5 m -47.65 -46.71 29.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.75 -44.53 77.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -63.25 -47.42 82.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.828 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.2 -40.96 90.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.81 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 61.0 m-20 -68.24 -45.01 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.024 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -57.54 -43.32 84.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.22 -52.56 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.59 -45.59 85.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.491 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.31 -36.68 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.0 tt -54.65 -52.06 63.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 56' ' ' ALA . 36.6 mt -73.47 -23.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -41.63 84.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.63 -71.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -158.96 175.7 35.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.408 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 21.5 ttt -89.59 -20.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.3 mt-10 -46.71 -47.99 50.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -40.13 96.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -72.6 -39.23 67.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.745 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 13.5 m-20 -79.43 -19.79 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 183' ' ' PRO . 4.9 ttt180 -97.72 -52.84 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.024 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 18.1 t -87.91 -57.96 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.614 ' HA ' ' CZ3' ' A' ' 191' ' ' TRP . 9.6 t-80 -68.96 23.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -137.84 60.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.614 ' CZ3' ' HA ' ' A' ' 189' ' ' HIS . 20.3 m-90 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.458 0.17 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.65 93.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.36 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -179.34 88.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.12 160.33 39.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.6 mt -135.81 144.41 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -112.18 139.51 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.686 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -121.9 140.83 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.867 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.15 121.69 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -96.09 110.14 3.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.49 108.52 20.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.538 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -130.43 -141.61 4.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.069 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.731 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 23.5 t-20 -138.99 129.38 14.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.641 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -75.13 -20.64 16.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.69 -144.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.688 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -158.12 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' ALA . 6.3 m120 -37.67 -57.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.935 ' CE2' HD22 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -84.48 -18.34 36.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.731 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -72.06 -29.24 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.5 tpt85 -62.91 -58.13 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 81.8 p -28.91 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.705 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 142.73 3.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.4 t-160 -67.23 9.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' VAL . 63.5 t30 -130.12 34.77 4.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.705 HD23 ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -61.46 -48.12 82.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.668 ' HA2' HD12 ' A' ' 93' ' ' ILE . . . -51.23 -54.43 23.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CB ' ' OD1' ' A' ' 23' ' ' ASN . 0.7 OUTLIER -73.38 -26.44 61.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.753 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.9 t -72.9 -40.56 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -75.64 -50.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -56.76 -36.38 69.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.7 m-20 -68.2 -51.52 44.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.524 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -45.97 -56.35 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.23 -179.945 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.77 -47.02 77.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.307 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -67.73 -18.69 64.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.63 -31.95 36.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -43.34 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -19.49 53.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 93.88 -40.59 2.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 60.32 145.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.81 17.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 1.09 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -77.12 -148.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -165.11 -165.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -152.31 114.82 4.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER 178.55 -85.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER 59.86 -163.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 -37.4 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.487 ' HB3' HD21 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -76.01 -9.1 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 69.96 86.76 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 65' ' ' PRO . . . -172.92 179.31 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 0.803 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.62 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.2 tp10 -84.47 148.42 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.67 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 17.5 m -148.0 135.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.09 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -144.33 125.2 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 126.55 41.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 110.462 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.05 130.65 5.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 98.27 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 57' ' ' GLY . 15.2 m -166.86 -168.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 51.15 21.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.91 44.39 68.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.5 ' HG2' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 177.26 155.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.48 176.14 10.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.7 pp -175.93 103.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.481 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 23.0 t -102.02 110.48 28.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.879 HD11 ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -98.71 122.85 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.701 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -142.34 165.98 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.879 ' HE3' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 174.6 123.03 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.757 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.94 -155.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.641 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 1.1 mpt_? -79.94 -84.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.92 -20.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.757 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 34.8 m-85 60.64 -82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.57 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.093 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.639 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 2.2 m-80 -71.97 -43.23 65.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -52.56 -38.87 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.0 t -70.48 -52.36 22.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.866 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.72 -51.26 3.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.909 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.97 -55.99 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 0.751 . . . . 0.0 110.368 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.594 ' HB2' ' HG3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -43.58 -47.55 7.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.961 ' CG2' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -67.65 -45.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.72 -66.57 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.909 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -75.05 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 46' ' ' SER . 4.7 mt -53.95 -41.13 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.883 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.16 -50.1 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -17.88 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.2 t80 -73.41 -45.17 56.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.506 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.6 m-85 -82.39 -12.7 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 t 57.22 55.97 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.506 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.0 OUTLIER -106.35 163.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.47 160.69 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.599 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -33.41 4.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.8 0.89 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 5' ' ' LEU . 70.6 m-20 -109.5 -23.51 11.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.34 133.06 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.686 HG12 HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -136.54 119.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.867 HG22 ' CG2' ' A' ' 8' ' ' VAL . 43.7 t -104.47 123.78 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.806 ' C ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -103.72 144.92 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.968 ' O ' HD12 ' A' ' 135' ' ' ILE . 2.0 t60 -151.36 -177.55 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.674 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.461 ' H ' ' CG ' ' A' ' 94' ' ' HIS . 1.4 p-10 -102.88 140.28 37.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.3 t70 -151.13 163.88 37.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.738 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.2 pt? -103.58 120.31 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.595 ' C ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -123.78 -71.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.595 HD22 ' C ' ' A' ' 98' ' ' ASP . 4.6 mm? -125.07 -106.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -90.55 174.56 7.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.578 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 63.6 m-85 -90.12 93.75 9.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.498 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 148.39 40.93 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.691 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -140.26 157.64 45.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.519 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.0 OUTLIER -117.14 165.5 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -147.29 107.64 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.814 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.21 131.86 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.29 174.99 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.646 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -132.24 -87.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.646 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -49.22 -51.34 26.24 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.13 76.68 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -139.72 -168.92 11.47 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 48.47 63.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.89 49.22 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.93 58.26 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -114.54 134.14 55.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -59.79 -52.93 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.69 -63.27 5.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.736 ' O ' HG12 ' A' ' 121' ' ' VAL . 10.8 mt -49.3 -42.88 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.466 ' O ' HG12 ' A' ' 122' ' ' VAL . 8.7 ttp180 -64.06 -32.82 74.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 13.2 t -72.47 -28.42 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.866 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.03 -42.54 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -63.87 -47.95 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.0 -36.11 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.84 -45.57 70.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.961 HD11 ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -78.04 -24.18 47.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.48 2.5 55.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -107.75 -158.62 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER 176.4 62.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.928 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.548 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 1.3 m-20 -148.04 15.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.705 ' CE2' HD22 ' A' ' 125' ' ' LEU . 10.0 m-85 -85.75 162.75 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.541 ' CB ' HD13 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -107.24 164.96 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.426 1.079 . . . . 0.0 110.362 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 14.9 mtt-85 -144.3 149.4 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 106' ' ' LEU . 2.5 t -121.76 89.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.3 mtp85 -85.47 145.62 27.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.968 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.8 mt -97.7 151.12 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.26 97.77 1.45 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.71 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -108.65 102.43 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . 57.59 169.86 0.17 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.66 158.34 75.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.713 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.5 Cg_endo -74.99 144.11 29.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.802 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -171.64 -72.66 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -150.63 58.75 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 0.809 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.29 -68.66 0.92 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 1.002 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -175.58 97.42 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.32 79.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 1.002 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -58.49 -38.66 78.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -76.02 -25.92 56.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.71 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -74.65 -29.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.935 HD22 ' CE2' ' A' ' 17' ' ' TYR . 2.3 mt -106.18 45.38 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.57 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.5 mm-40 -64.07 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.592 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 5.5 t-20 150.65 46.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.807 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -70.87 31.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -10.42 -55.66 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.906 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.797 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.1 -83.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.807 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -40.88 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.623 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -78.54 -43.98 25.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.022 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.52 -30.36 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.67 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.1 -41.07 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.904 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.9 mm-40 -78.18 -35.93 48.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.512 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 1.1 t -49.02 -51.74 53.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.022 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -36.15 2.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.535 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.2 m -52.0 -50.46 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.904 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -80.79 -49.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.887 ' N ' HD13 ' A' ' 165' ' ' ILE . 17.2 m -44.21 -50.99 8.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.65 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 3.8 mm-40 -67.13 -49.07 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.57 -48.45 81.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 165' ' ' ILE . . . -71.91 -30.6 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -57.38 -47.73 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.8 m-20 -69.58 -45.5 68.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.742 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -61.45 -36.53 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 169' ' ' ALA . 2.2 m -64.88 -51.69 60.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.651 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.97 -34.57 68.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.651 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 tp -72.57 -44.99 61.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.8 tt -50.68 -43.95 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.67 -23.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 5.5 tm-20 -57.2 -49.23 76.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.413 1.071 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -140.52 -71.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -144.68 170.84 26.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.52 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 16.9 ptp -89.65 -12.09 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -44.03 -49.68 21.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.929 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -74.96 -36.74 2.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.2 tt0 -68.71 -37.77 79.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.995 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 11.4 m-20 -82.29 -23.92 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.32 -57.29 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.742 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -70.26 -49.66 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.563 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.51 17.07 1.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.995 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -75.64 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.503 ' CZ3' ' O ' ' A' ' 187' ' ' ARG . 39.9 p90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.474 0.178 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.56 100.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.91 137.57 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.05 176.84 9.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 4.2 mt -140.39 134.59 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -133.18 136.71 45.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.622 HG13 HG12 ' A' ' 91' ' ' ILE . 34.1 t -129.33 145.93 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.731 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -140.07 116.95 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.69 114.5 4.84 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.152 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.697 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -107.2 108.89 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.54 -139.6 6.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -133.68 118.12 14.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.97 -7.33 19.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -62.84 -112.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 164.44 -82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -46.14 -40.88 11.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CE1' HD22 ' A' ' 151' ' ' LEU . 1.3 t80 -84.61 -22.89 29.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.83 -28.71 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 21' ' ' ARG . 18.8 mmt85 -45.36 -28.86 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -75.14 20.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.603 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.0 mmp_? 70.43 14.02 7.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 9.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.642 ' O ' HG23 ' A' ' 27' ' ' VAL . 65.8 t30 -125.94 29.41 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.851 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -54.19 -46.58 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.58 -61.65 4.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CD2' ' OH ' ' A' ' 68' ' ' TYR . 1.9 t80 -72.83 -23.03 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 23' ' ' ASN . 5.1 t -73.71 -39.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 24' ' ' LEU . 1.2 t -71.54 -51.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.647 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -54.1 -47.34 71.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.2 m-20 -59.39 -45.93 90.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.05 -60.56 3.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 3.2 mt -56.89 -25.68 57.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -84.71 -21.18 30.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.7 -28.8 33.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -90.16 -42.82 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.07 18.37 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 68.19 -55.07 0.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.59 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 74.15 145.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -163.84 36.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 109.38 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 1.01 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.01 -150.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -164.6 -163.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.85 144.81 46.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -100.65 108.42 20.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.78 47.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -39.21 -61.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.931 ' CB ' HD11 ' A' ' 79' ' ' LEU . 78.1 p -78.77 -25.26 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 72.36 76.49 0.62 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.703 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 175.51 178.59 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.753 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.72 147.8 26.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 8.4 m -141.75 129.41 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 1.01 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -145.81 110.12 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -98.92 163.5 12.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.37 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -149.21 -165.0 11.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.71 131.01 6.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.3 OUTLIER 174.44 -174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.829 ' HB1' HG22 ' A' ' 177' ' ' ILE . . . 44.67 26.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.0 50.71 56.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 173.3 154.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 0.762 . . . . 0.0 110.345 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -77.82 164.09 25.5 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -141.81 129.27 21.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.466 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.5 t -107.77 108.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.647 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -107.82 110.22 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.97 172.92 7.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER -177.12 115.87 0.26 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.703 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -74.97 -155.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.6 mmt180 -84.88 -85.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -47.15 -19.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 108.322 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.733 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.0 m-85 61.42 -80.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.679 ' N ' HD13 ' A' ' 10' ' ' LEU . 3.9 ttt -37.7 -84.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -69.2 -38.05 78.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -56.44 -37.78 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.8 t -71.5 -56.67 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.865 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -41.47 -52.58 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.57 -47.1 28.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.587 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.5 tp60 -43.99 -50.86 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 110.237 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.735 HG22 HD21 ' A' ' 125' ' ' LEU . 7.9 mt -68.34 -48.31 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.38 -66.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.01 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.931 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.44 -40.97 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.46 -50.11 54.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -16.8 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.751 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -82.55 -12.87 57.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.8 t 51.54 46.25 26.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.959 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.562 HG22 ' H ' ' A' ' 86' ' ' ALA . 9.8 p -113.96 172.05 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.653 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -80.45 123.6 82.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 1.033 ' O ' HG22 ' A' ' 90' ' ' ILE . 18.2 Cg_endo -75.01 3.24 5.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB2' ' CB ' ' A' ' 129' ' ' ASP . . . -71.1 -14.54 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.714 ' O ' ' N ' ' A' ' 6' ' ' LEU . 2.0 p30 -99.6 -4.17 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.913 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 1.033 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.2 tt -86.81 134.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.622 HG12 HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.72 116.94 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.731 HG22 ' CG2' ' A' ' 8' ' ' VAL . 46.7 t -99.72 123.17 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.662 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -111.95 143.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.791 ' O ' HD12 ' A' ' 135' ' ' ILE . 2.1 t60 -161.96 166.28 26.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.547 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.614 ' OD1' HD13 ' A' ' 137' ' ' ILE . 6.9 t0 -94.07 145.13 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -138.19 168.07 20.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.816 ' HB3' HG21 ' A' ' 150' ' ' VAL . 1.1 pt? -96.13 83.5 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -132.05 -47.68 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.737 HD23 ' CD1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -136.4 95.97 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 138' ' ' GLY . 48.7 tt0 -75.25 35.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.737 ' CD1' HD23 ' A' ' 99' ' ' LEU . 6.3 m-85 -100.63 -40.98 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.725 ' O ' HG21 ' A' ' 165' ' ' ILE . . . 124.42 37.68 0.55 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.729 ' O ' HG23 ' A' ' 135' ' ' ILE . 15.0 mmt-85 -103.04 -179.38 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.249 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.792 HD13 ' HB1' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -122.41 166.69 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.3 OUTLIER -146.79 109.07 4.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.912 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.82 132.17 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.45 ' N ' HD22 ' A' ' 106' ' ' LEU . 0.7 OUTLIER -146.31 166.41 26.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.645 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -127.94 -87.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.645 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -64.03 -35.29 91.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.431 ' C ' ' NH1' ' A' ' 132' ' ' ARG . . . -86.93 143.93 19.2 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.95 -173.02 18.96 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 70.11 73.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -116.36 -101.23 2.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.48 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -89.17 71.81 2.3 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 29.6 m80 -155.76 111.68 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' SER . 1.8 t30 -62.95 -43.12 99.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.451 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -54.57 -61.9 6.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.702 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.9 mt -53.01 -51.11 62.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.531 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.7 mtp180 -59.11 -31.64 69.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 31.1 t -73.45 -28.31 61.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.865 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.89 -43.35 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.792 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.52 -45.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.98 -36.9 75.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -71.62 -38.88 70.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.735 HD21 HG22 ' A' ' 76' ' ' ILE . 1.6 mt -82.6 -22.4 34.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.86 7.69 75.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 72.76 127.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -178.13 36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 1.3 m-20 87.79 125.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.792 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 22.1 p90 -178.9 158.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.475 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -129.03 167.44 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 110.237 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.72 150.93 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.345 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 41.7 t -126.51 89.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 19.8 mtp180 -86.38 144.2 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.2 mp -104.86 149.6 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.993 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -94.13 118.52 5.78 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 136' ' ' GLY . 1.0 OUTLIER -145.35 23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.38 0.694 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.558 ' HA3' ' CA ' ' A' ' 97' ' ' LEU . . . -119.58 141.81 15.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.535 ' O ' ' HD3' ' A' ' 141' ' ' PRO . 1.7 mtt180 -130.51 74.89 79.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.406 ' HB3' ' HB3' ' A' ' 146' ' ' PRO . 18.3 Cg_endo -75.01 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 139' ' ' ARG . 18.2 Cg_endo -75.04 -35.58 3.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.443 1.759 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.65 -85.59 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.43 1.081 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -159.54 21.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.406 ' HD3' ' CG ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -67.03 -63.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.76 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 2.3 p30 -173.22 94.41 0.35 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.781 ' HB2' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.0 -53.0 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.538 1.809 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -56.39 -45.36 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.76 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -60.17 -40.52 90.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -68.92 -25.99 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.816 HG21 ' HB3' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -77.88 -33.31 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.588 HD22 ' CE1' ' A' ' 17' ' ' TYR . 85.5 mt -79.36 50.44 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.692 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -81.75 -99.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.692 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.6 t30 138.69 49.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.843 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -69.32 27.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.615 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.46 -52.11 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.72 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.843 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -41.71 14.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.9 mt-10 -73.26 -32.29 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.02 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -59.93 -42.57 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.673 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.67 -36.65 60.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.951 ' O ' HG22 ' A' ' 165' ' ' ILE . 12.8 mm-40 -75.99 -37.56 58.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -50.69 -52.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.02 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -29.62 7.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.3 m -60.43 -56.68 18.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.431 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.951 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -73.08 -51.68 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.815 ' N ' HD13 ' A' ' 165' ' ' ILE . 21.8 m -41.05 -48.66 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.357 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.21 -48.57 70.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.521 ' HB3' ' CE2' ' A' ' 191' ' ' TRP . 0.9 OUTLIER -64.71 -43.52 93.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.792 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -71.92 -35.35 69.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -56.08 -49.01 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.0 OUTLIER -69.87 -38.62 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.991 ' HB1' HG22 ' A' ' 188' ' ' VAL . . . -65.56 -37.25 86.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.9 m -65.09 -51.01 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.7 pt-20 -55.35 -43.01 74.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.49 -38.91 92.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.4 tt -54.74 -49.05 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.829 HG22 ' HB1' ' A' ' 56' ' ' ALA . 8.4 mt -79.09 -17.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 5.8 tm-20 -70.31 -33.55 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -132.64 -72.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -174.31 -152.13 8.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.596 1.185 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 185' ' ' GLN . 3.3 ptt? -95.35 -34.81 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -44.58 -51.94 19.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.945 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.14 -36.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.838 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.27 -43.15 82.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -66.9 -37.03 83.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.989 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.6 t30 -81.27 -22.66 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.664 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 3.7 ttt180 -102.88 -58.46 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.991 HG22 ' HB1' ' A' ' 172' ' ' ALA . 14.7 t -62.16 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.57 6.49 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.553 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.989 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -85.22 -71.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.662 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.046 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.524 0.202 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.433 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . . . -130.25 175.42 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 8.7 pt-20 -169.29 102.79 0.48 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.387 1.054 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 17.9 Cg_endo -75.04 167.88 26.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -135.64 141.2 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.734 HD22 ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.726 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -122.78 141.0 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.676 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.13 124.11 45.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.85 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.843 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.62 100.48 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.86 -159.33 22.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.609 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 3.8 m-80 -134.52 111.18 11.53 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 9.92 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.591 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . -54.22 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.92 -129.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.41 -33.75 68.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.677 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -68.39 -29.32 67.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.609 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -75.87 -38.24 58.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.582 ' O ' ' C ' ' A' ' 20' ' ' THR . 5.7 tpt180 -57.82 -45.83 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.684 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 51.5 p -22.48 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.768 HH21 HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER 161.97 -11.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.72 2.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.66 ' O ' HG23 ' A' ' 27' ' ' VAL . 60.2 t30 -112.31 36.17 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.785 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -61.52 -62.44 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.685 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -33.99 -62.01 0.48 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CG ' ' OH ' ' A' ' 68' ' ' TYR . 2.7 t80 -66.94 -35.4 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG21 HH21 ' A' ' 21' ' ' ARG . 2.5 t -62.22 -41.94 93.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.2 t -69.98 -51.39 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.916 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.41 -47.38 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 6.1 t70 -67.04 -30.2 70.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.497 HD22 ' SG ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -64.31 -60.37 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.911 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 4.2 mt -53.63 -50.35 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -52.52 -36.05 54.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -44.54 11.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.12 -168.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.911 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -90.87 -13.91 58.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 52.86 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.71 67.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.873 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -145.28 -151.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.979 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 1.3 mtmt -151.44 -166.44 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.576 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -161.32 108.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER 179.02 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.506 ' HG3' HG11 ' A' ' 50' ' ' VAL . 17.0 mmmt 58.89 -172.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -31.69 49.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.216 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.6 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -71.93 -39.75 69.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 97.02 56.03 1.16 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.518 1.137 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.598 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -143.22 -179.36 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 mm-40 -83.69 146.88 27.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.7 m -144.02 107.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.873 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -115.55 109.64 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.01 150.67 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.12 134.12 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -141.03 98.47 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -162.33 -163.27 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.71 27.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.69 47.6 87.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' NH2' ' HA ' ' A' ' 2' ' ' ALA . 0.3 OUTLIER 177.15 152.85 0.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 110.347 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.09 178.49 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.2 pp -175.95 122.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 6' ' ' LEU . 8.1 t -106.13 114.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.916 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -104.45 126.01 51.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.565 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -142.64 165.61 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -176.03 121.23 0.31 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.648 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.06 -157.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.606 1.845 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.501 ' C ' ' N ' ' A' ' 68' ' ' TYR . 21.8 mmt180 -81.96 -83.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.87 -19.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.735 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.663 ' CA ' HD13 ' A' ' 10' ' ' LEU . 8.2 ttt -34.35 -93.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.32 -37.39 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.547 ' OE2' ' CZ ' ' A' ' 74' ' ' ARG . 2.6 mm-40 -56.48 -31.07 63.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.735 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.9 t -78.05 -56.25 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.923 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.55 -52.82 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.969 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.67 -44.55 49.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 0.728 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.3 tm0? -46.67 -50.51 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.791 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.9 mt -67.38 -46.56 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.401 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.11 -68.1 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.969 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -74.94 -45.82 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.3 OUTLIER -54.96 -39.47 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.51 -50.21 59.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -16.0 60.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.676 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -81.98 -37.61 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.664 ' HB3' HG23 ' A' ' 85' ' ' VAL . 2.7 m-85 -80.2 -10.79 59.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.49 12.01 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 83' ' ' TYR . 23.6 t -93.46 150.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -83.87 165.16 40.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.554 ' HA ' HG22 ' A' ' 90' ' ' ILE . 18.2 Cg_endo -74.91 -18.04 19.29 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.582 1.833 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.16 -9.26 15.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 6' ' ' LEU . 69.3 m-20 -110.61 -20.39 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.734 ' CD1' HD22 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -87.47 138.72 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.726 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -138.45 123.03 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.676 HG22 ' CG2' ' A' ' 8' ' ' VAL . 58.7 t -103.96 137.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.946 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -117.06 146.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.0 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.3 t60 -151.5 164.98 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.69 ' CG ' HD23 ' A' ' 24' ' ' LEU . 4.1 t0 -99.65 140.82 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.9 t0 -155.09 152.35 29.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.653 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -82.13 129.65 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.4 -79.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.4 OUTLIER -136.52 -69.99 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.16 164.44 13.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 110.238 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -93.48 22.37 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -154.98 54.61 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.8 tmm_? -134.11 156.72 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.798 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.9 pp -123.76 159.51 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -143.79 112.93 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.798 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.7 139.3 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 172.13 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.714 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.6 OUTLIER -98.69 -93.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.714 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -105.28 40.73 2.37 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -37.53 -87.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.72 149.64 5.38 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.482 ' OE1' HG11 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -76.12 74.95 2.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 0.808 . . . . 0.0 110.253 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.12 -83.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.555 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -139.09 80.42 0.28 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 88.5 m-70 -163.59 112.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.476 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 2.0 m-20 -54.45 -33.06 58.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.924 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.78 -67.32 2.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.698 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.2 mt -48.18 -42.15 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.537 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.68 -31.7 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 110.372 179.933 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 5.5 t -74.97 -28.16 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.923 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.07 -43.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.846 HG23 ' CE2' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -66.71 -46.17 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.455 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.13 -37.55 78.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -67.55 -45.38 75.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.673 HD11 HG21 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -78.85 -20.6 49.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.36 2.19 87.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 74.45 130.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.6 mmtt -179.47 32.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.7 m-20 81.88 98.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.846 ' CE2' HG23 ' A' ' 122' ' ' VAL . 6.3 p90 -127.05 160.8 30.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.474 ' HB2' HG22 ' A' ' 91' ' ' ILE . 78.5 mt-30 -108.18 155.3 20.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 3.5 tpp180 -140.63 163.48 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.946 ' HB ' HG22 ' A' ' 93' ' ' ILE . 24.3 t -153.17 85.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -89.38 141.91 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.0 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.5 mp -96.35 147.35 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.8 103.64 2.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.727 HD12 HG22 ' A' ' 150' ' ' VAL . 1.8 pp -121.67 81.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 139' ' ' ARG . . . -96.55 -130.03 6.33 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.6 ttt-85 87.11 71.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.255 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 140.96 26.01 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.545 1.813 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.497 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.2 Cg_endo -75.01 -54.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 143' ' ' ARG . . . -165.35 28.84 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 142' ' ' GLY . 7.1 mtt180 70.95 1.4 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -52.26 65.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.955 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -161.28 100.83 1.24 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.8 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.8 -46.37 68.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.955 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.05 -39.46 82.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.497 ' CD2' ' HD3' ' A' ' 141' ' ' PRO . 3.2 t80 -75.21 -29.76 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.727 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -63.91 -41.46 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 17' ' ' TYR . 1.1 mt -93.89 39.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 4.6 tt0 -75.75 -101.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.638 ' C ' ' H ' ' A' ' 155' ' ' THR . 7.9 t-20 162.99 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.854 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -67.15 30.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.638 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -23.68 -48.95 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.806 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.98 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.768 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.799 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -75.22 -26.83 59.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.854 ' N ' ' O ' ' A' ' 154' ' ' PHE . 19.9 mt-10 -81.04 -40.23 24.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -66.47 -34.95 79.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 0.0 110.276 -179.935 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.672 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.39 -38.93 48.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 165' ' ' ILE . 5.1 mm-40 -77.87 -34.78 51.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.522 ' O ' ' SG ' ' A' ' 166' ' ' CYS . 1.5 t -52.64 -51.88 69.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.07 -30.69 6.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.555 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 4.2 m -55.11 -55.05 35.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.702 HD11 ' CG2' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -78.08 -48.45 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.693 ' N ' HD13 ' A' ' 165' ' ' ILE . 54.1 m -49.31 -47.52 46.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -65.58 -46.13 80.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 164' ' ' THR . 5.7 tm0? -65.32 -44.96 86.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.922 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.798 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.73 -34.54 67.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -57.31 -49.08 77.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 15.4 m-20 -68.94 -40.73 78.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.84 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.41 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 169' ' ' ALA . 7.2 m -63.48 -51.32 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -59.34 -43.68 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -68.63 -36.19 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.8 tt -55.2 -50.74 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -76.91 -21.81 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.85 -58.88 6.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -119.13 -73.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -154.79 -171.75 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 185' ' ' GLN . 7.7 ptp -88.71 -18.62 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -46.65 -48.44 49.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.667 ' HB2' HD23 ' A' ' 175' ' ' LEU . 18.4 Cg_endo -74.92 -37.75 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.456 1.766 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.658 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.46 -36.87 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.627 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.2 tt0 -71.16 -39.98 71.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 1.054 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.4 t-20 -82.63 -21.93 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.17 -55.14 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.912 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.84 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -76.21 -57.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.627 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -65.37 -6.51 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.676 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 1.054 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.67 97.35 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.409 ' CH2' HG22 ' A' ' 164' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.517 0.198 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . . . -173.65 124.33 0.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -179.25 125.12 0.24 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.02 152.21 40.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -132.3 140.1 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.1 tt -107.57 143.6 35.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 HG12 ' A' ' 91' ' ' ILE . 2.0 t -126.34 139.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.693 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.14 120.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.19 106.68 3.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -92.47 98.63 11.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -123.37 -141.16 5.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.599 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 4.7 m-20 -140.28 130.73 13.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.506 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 139.35 24.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.34 113.89 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -42.82 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 44.38 -140.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.578 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 2.0 t80 -64.81 -17.21 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -72.56 -42.01 65.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.524 ' O ' ' C ' ' A' ' 20' ' ' THR . 8.7 tpt85 -37.76 -48.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 152' ' ' GLU . 30.6 p -28.61 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.636 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 166.68 -15.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.432 ' N ' ' HD3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -54.21 -3.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.513 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 27' ' ' VAL . 59.8 t30 -120.69 44.01 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.969 HD12 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -62.2 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -34.16 -64.78 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ASP . 1.3 t80 -63.36 -34.87 78.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.8 t -58.01 -41.13 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.765 HG12 HD12 ' A' ' 32' ' ' LEU . 86.4 t -77.38 -51.07 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -56.89 -34.46 67.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 6.4 m-20 -69.7 -54.24 14.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -56.95 -53.87 53.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.765 HD12 HG12 ' A' ' 28' ' ' VAL . 7.1 mt -57.15 -51.66 68.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -62.06 -24.52 67.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.27 -30.95 58.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -44.18 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -39.92 92.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.39 -8.6 79.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.31 141.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.872 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 64.3 m-85 -60.1 156.84 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 1.6 mttp -118.32 175.4 5.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 43' ' ' HIS . . . -126.68 153.56 45.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER 71.55 -85.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.577 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.14 52.8 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 71.66 -70.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 110.297 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.611 ' CB ' HD11 ' A' ' 79' ' ' LEU . 2.1 p -39.51 -44.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 43' ' ' HIS . . . 100.01 49.89 1.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -171.72 -176.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 3.7 tp10 -84.38 149.35 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.257 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 63' ' ' ALA . 8.2 p -170.41 157.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -171.76 124.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.29 151.25 46.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.404 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -140.6 133.39 5.91 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -140.48 105.42 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.414 0.714 . . . . 0.0 110.343 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.44 -173.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.07 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.07 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.41 58.82 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.489 ' HB3' ' CG2' ' A' ' 177' ' ' ILE . 0.6 OUTLIER -178.65 157.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.606 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -79.0 179.01 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 176.87 116.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.9 t -108.92 116.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 ' HB ' ' A' ' 7' ' ' VAL . 3.4 mm? -102.75 127.4 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.525 ' HB2' HG23 ' A' ' 50' ' ' VAL . . . -144.23 168.96 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 178.19 122.92 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.781 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.0 -154.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.5 mmt-85 -87.25 -88.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.61 -23.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 108.269 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.4 m-85 63.38 -79.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.879 ' HA ' HD13 ' A' ' 10' ' ' LEU . 12.0 ttm -29.28 -99.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.58 -32.31 73.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.573 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 1.7 mt-10 -60.4 -38.64 84.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.882 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.0 t -71.85 -47.05 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -50.4 -49.14 39.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 1.079 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.85 -38.15 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.572 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 3.3 mm-40 -60.26 -44.98 94.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.693 HG12 HG11 ' A' ' 8' ' ' VAL . 57.9 mt -69.18 -51.13 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.6 -61.9 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 1.079 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.03 -40.56 67.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.96 -50.95 60.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -74.45 -16.9 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' VAL . 6.3 m-85 -78.18 0.39 25.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p 51.33 46.21 26.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.382 1.051 . . . . 0.0 110.064 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' TYR . 53.2 t -119.05 165.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.474 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -82.75 155.78 68.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HG3' ' HB3' ' A' ' 128' ' ' LYS . 18.1 Cg_endo -75.03 -19.35 17.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.51 -5.14 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.61 ' O ' ' N ' ' A' ' 6' ' ' LEU . 73.3 m-20 -106.63 -18.64 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 131' ' ' GLN . 40.7 mt -88.75 137.42 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.939 HG12 HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 117.63 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.8 p -102.72 124.81 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -102.91 146.8 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.641 ' CD2' HD21 ' A' ' 10' ' ' LEU . 1.3 t60 -158.93 -171.88 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.545 ' HB2' ' CD1' ' A' ' 137' ' ' ILE . 1.2 p-10 -85.65 138.53 32.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.659 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.3 t0 -121.18 116.39 24.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.508 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -79.61 49.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.57 -71.81 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.674 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 5.5 tp -132.97 -132.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER -88.61 165.66 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.731 ' HZ ' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -74.82 131.96 41.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 134.24 8.15 2.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 135' ' ' ILE . 4.1 mmm-85 -134.47 166.33 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.985 HG23 HD11 ' A' ' 165' ' ' ILE . 1.1 pp -123.64 160.84 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.96 88.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 1.001 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -103.52 139.98 38.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.219 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.6 ' N ' HD22 ' A' ' 106' ' ' LEU . 1.3 mtmt -150.38 -171.95 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 130' ' ' PHE . 1.6 tp -129.13 -87.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.769 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -79.98 52.68 4.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.47 1.106 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -78.02 -110.01 0.18 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 174.13 118.81 0.52 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.736 ' CD ' HG21 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -45.77 -65.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.796 . . . . 0.0 110.302 -179.925 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.94 -107.15 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -110.17 68.87 0.21 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -142.53 118.51 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -70.68 -40.63 72.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -65.28 -60.78 6.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.102 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 122' ' ' VAL . 11.5 mt -53.68 -48.28 69.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.355 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -59.12 -34.72 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.403 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t -70.81 -30.74 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.503 HG22 ' HA2' ' A' ' 73' ' ' GLY . 2.6 t -70.75 -43.12 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.975 HG22 ' CE2' ' A' ' 130' ' ' PHE . 5.1 t -73.46 -27.89 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.22 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -75.78 -44.11 43.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 80' ' ' ALA . 19.2 mt -78.56 -21.42 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.96 8.17 82.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.579 1.174 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.502 ' OG1' ' CG1' ' A' ' 122' ' ' VAL . 0.5 OUTLIER 72.26 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 110.388 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.55 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -163.02 25.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.6 OUTLIER 80.36 101.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.975 ' CE2' HG22 ' A' ' 122' ' ' VAL . 5.7 p90 -133.87 176.67 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.527 ' CG ' HD13 ' A' ' 108' ' ' ILE . 84.1 mt-30 -111.56 154.46 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.49 HH12 ' N ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -144.26 149.35 36.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 1.001 HG22 ' HB2' ' A' ' 106' ' ' LEU . 23.0 t -133.34 87.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.7 mtp180 -95.43 127.16 41.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.969 HD13 HD12 ' A' ' 24' ' ' LEU . 4.9 mp -88.93 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . -84.71 89.67 1.6 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.573 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -115.0 102.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.674 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . 49.98 176.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.574 ' HB2' ' HD2' ' A' ' 140' ' ' PRO . 0.2 OUTLIER -104.31 171.23 5.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 179.924 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -74.95 179.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 140' ' ' PRO . 18.4 Cg_endo -75.01 134.64 18.05 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 111.06 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 156.08 56.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 173.54 -156.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.585 0.814 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -48.04 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.441 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.7 m-20 166.87 67.7 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.479 ' HG2' ' HA ' ' A' ' 141' ' ' PRO . 18.3 Cg_endo -74.93 -51.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' A' ' 141' ' ' PRO . . . -58.24 -44.6 88.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -57.29 -33.48 67.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 146' ' ' PRO . 3.4 t80 -76.32 -31.64 58.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.861 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -68.13 -37.25 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.861 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -99.21 43.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.793 ' O ' HG22 ' A' ' 20' ' ' THR . 2.1 tt0 -81.91 -97.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 110.385 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.619 ' C ' ' H ' ' A' ' 155' ' ' THR . 18.4 t30 164.66 48.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.861 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.7 ' CG ' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.98 28.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.619 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -28.11 -50.83 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.648 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.9 -62.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.7 ' HB3' ' CG ' ' A' ' 154' ' ' PHE . . . -50.39 -45.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.93 ' HG2' HG23 ' A' ' 162' ' ' VAL . 17.3 tt0 -71.76 -30.41 65.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.83 -43.92 90.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.731 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.14 -34.38 56.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.946 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.8 mm-40 -75.25 -37.76 60.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.93 HG23 ' HG2' ' A' ' 158' ' ' GLU . 1.2 t -53.3 -50.68 81.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -26.22 11.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.558 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 8.2 m -65.89 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.985 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -67.01 -53.18 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.836 ' N ' HD13 ' A' ' 165' ' ' ILE . 46.7 t -46.1 -48.05 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.8 tt0 -57.78 -46.74 84.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.652 ' O ' HG21 ' A' ' 188' ' ' VAL . 27.2 mm-40 -64.09 -47.79 78.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.965 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.64 -38.87 80.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.93 -43.07 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 37.0 m-20 -67.05 -46.27 74.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.692 ' HB2' ' CB ' ' A' ' 188' ' ' VAL . . . -58.21 -45.81 86.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.5 m -66.17 -50.49 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -57.84 -47.32 83.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.51 -39.48 88.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.1 tt -51.09 -51.33 54.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.489 ' CG2' ' HB3' ' A' ' 58' ' ' ARG . 31.6 mt -75.04 -24.47 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.48 -43.15 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -71.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.5 172.39 32.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -16.4 27.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.4 mt-10 -51.95 -46.31 92.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.0 -38.3 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.422 1.748 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 172' ' ' ALA . . . -65.31 -39.79 92.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.561 ' HA ' ' CB ' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.14 -38.47 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.747 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -81.67 -18.78 43.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.2 ttt180 -95.72 -54.4 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.692 ' CB ' ' HB2' ' A' ' 172' ' ' ALA . 50.1 t -90.04 -58.01 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 185' ' ' GLN . 22.4 t-80 -68.13 22.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.93 -41.47 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.515 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.59 136.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.22 69.0 3.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.46 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -125.18 166.31 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.226 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 7' ' ' VAL . 1.5 tt -117.41 144.6 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.82 ' HB ' HD22 ' A' ' 62' ' ' LEU . 23.7 t -127.88 143.46 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.523 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.31 124.72 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -103.76 111.44 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.827 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -90.76 104.48 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.47 -148.19 10.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 1.03 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 3.5 t-20 -135.46 118.8 12.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -12.1 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.628 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -59.1 -116.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 166.82 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -47.98 -35.83 11.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -20.24 20.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 1.03 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -71.43 -32.34 68.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 21' ' ' ARG . 2.1 mpt_? -50.37 -36.26 31.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.637 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 34.8 p -61.92 -2.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.49 179.911 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.637 ' CB ' ' O ' ' A' ' 20' ' ' THR . 1.6 tpp180 95.96 11.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.469 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -67.58 9.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.577 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.65 ' O ' HG23 ' A' ' 27' ' ' VAL . 64.4 t30 -126.94 34.63 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.104 HD22 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.81 -43.79 94.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -50.81 -56.75 12.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.0 t80 -76.46 -25.34 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.4 t -71.23 -42.83 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.638 HG11 HD13 ' A' ' 93' ' ' ILE . 1.6 t -70.71 -51.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.04 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.1 m-20 -66.33 -48.26 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.65 -58.62 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -59.47 -29.36 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -77.48 -25.18 50.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.96 -27.07 36.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.61 1.194 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.02 -42.81 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -44.05 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.45 -8.04 80.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.82 146.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.97 85.23 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.914 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 58.6 m-85 -62.57 -173.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -155.31 -169.37 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -167.74 122.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -119.81 -174.61 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.07 -179.8 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 69.47 -72.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.539 ' O ' HD11 ' A' ' 79' ' ' LEU . 6.4 p -150.53 33.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -107.1 -57.83 0.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.89 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 47.2 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.373 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.34 137.7 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -174.37 166.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.914 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -171.52 126.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.41 150.69 25.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -139.93 129.77 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.587 1.179 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.26 99.03 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 57' ' ' GLY . 65.6 p -169.08 -160.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.928 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.79 27.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.14 48.56 78.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 172.13 154.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 0.716 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -79.92 177.06 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 173.96 123.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t -106.93 115.95 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.82 HD22 ' HB ' ' A' ' 7' ' ' VAL . 2.2 mm? -93.52 120.79 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . . . -127.99 167.02 17.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 178.66 115.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.89 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.98 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 68' ' ' TYR . 24.2 mmt85 -83.55 -84.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.658 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -46.39 -20.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.71 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.8 m-85 63.12 -78.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.675 ' HA ' HD13 ' A' ' 10' ' ' LEU . 1.5 ttp -38.6 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.596 ' HB2' ' HE1' ' A' ' 69' ' ' MET . 10.0 t-20 -60.92 -31.91 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.03 -47.1 86.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.71 ' N ' ' O ' ' A' ' 68' ' ' TYR . 43.9 t -64.24 -53.45 48.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.836 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.22 -52.14 7.22 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.18 -47.15 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 0.803 . . . . 0.0 110.264 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.694 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 2.4 mm-40 -48.91 -48.86 42.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.32 -47.95 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.514 ' HA3' ' HB1' ' A' ' 124' ' ' ALA . . . -28.92 -68.34 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.04 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.87 -40.14 66.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.46 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -15.97 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.672 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -76.32 -44.02 38.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.41 3.87 22.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.3 t 51.16 45.38 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.45 151.02 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 157.69 63.96 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.519 ' CG ' ' HB3' ' A' ' 128' ' ' LYS . 18.0 Cg_endo -74.96 -17.1 19.92 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.21 -8.65 33.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.847 ' O ' HD12 ' A' ' 5' ' ' LEU . 13.9 m-20 -114.65 -14.58 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 67.6 mt -89.15 121.9 39.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.755 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -125.34 119.16 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.5 p -101.37 121.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.006 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -100.81 142.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.911 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.6 t60 -157.44 -178.18 7.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.675 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.588 ' CB ' HD12 ' A' ' 24' ' ' LEU . 1.5 p30 -107.41 140.12 40.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 135' ' ' ILE . 11.7 t0 -145.76 152.74 40.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.624 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.7 OUTLIER -86.63 115.22 23.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.46 -83.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 139' ' ' ARG . 2.8 mt -129.67 -81.73 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.1 mp0 -94.06 173.09 7.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -96.65 31.52 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.533 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -150.44 45.13 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -138.59 157.58 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.277 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.942 HG22 HG13 ' A' ' 135' ' ' ILE . 0.9 OUTLIER -123.31 159.55 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.617 ' C ' HD13 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -147.63 108.6 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.344 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 1.095 ' HB3' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -112.73 140.78 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 0.6 OUTLIER -144.12 -174.98 4.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.703 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.1 tp -119.35 -85.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.703 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -118.81 67.5 0.37 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.32 -97.39 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.634 ' N ' HH12 ' A' ' 132' ' ' ARG . . . -157.54 132.02 3.07 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -46.62 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 0.715 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.86 78.35 1.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 41.02 83.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -167.43 110.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 0.702 . . . . 0.0 109.561 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -63.1 -33.89 76.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.659 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -58.32 -63.53 5.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 122' ' ' VAL . 4.6 mt -54.59 -50.87 67.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -35.01 68.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 m -68.01 -34.33 76.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.836 HG22 ' HA2' ' A' ' 73' ' ' GLY . 46.1 t -71.23 -41.46 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.886 HG13 ' HE2' ' A' ' 130' ' ' PHE . 10.6 t -70.03 -29.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.71 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -80.58 -47.13 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.688 HD21 ' CB ' ' A' ' 80' ' ' ALA . 14.6 mt -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.883 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.92 4.05 65.9 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.663 ' OG1' ' CE2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER 73.76 139.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 0.0 110.452 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.9 OUTLIER -169.0 28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.682 ' O ' HD11 ' A' ' 108' ' ' ILE . 11.6 t0 86.47 22.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.886 ' HE2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -52.04 174.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 91' ' ' ILE . 58.7 mt-30 -119.21 150.7 39.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.216 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.634 HH12 ' N ' ' A' ' 111' ' ' GLY . 0.1 OUTLIER -138.94 151.18 46.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 1.095 HG22 ' HB3' ' A' ' 106' ' ' LEU . 10.8 t -136.68 80.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.2 mpp_? -88.91 144.71 26.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.104 HD13 HD22 ' A' ' 24' ' ' LEU . 4.2 mp -98.32 150.51 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . -95.05 101.23 2.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.897 HD11 HG21 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -107.61 103.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . -141.41 -118.23 1.42 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.726 ' N ' ' HD3' ' A' ' 140' ' ' PRO . 0.0 OUTLIER 68.13 46.81 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.368 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.726 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -74.92 156.76 43.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.619 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.5 Cg_endo -74.94 -25.83 11.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 111.046 179.921 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -175.13 -101.63 0.15 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -148.37 18.14 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -59.87 -60.84 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.649 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 3.3 m-20 -162.81 102.55 1.04 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.46 98.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.649 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -60.39 -38.86 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.619 ' CD2' ' HD3' ' A' ' 141' ' ' PRO . 1.2 t80 -71.43 -29.01 64.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.897 HG21 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -73.88 -32.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 39.2 mt -94.65 30.45 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 6.9 mm-40 -83.57 -100.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 155' ' ' THR . 19.2 t30 160.02 57.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.881 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -65.97 27.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.657 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -11.93 -55.65 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.655 1.222 . . . . 0.0 110.423 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.776 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.81 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.881 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -40.42 -29.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 162' ' ' VAL . 7.6 mt-10 -80.94 -42.56 21.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.027 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.44 -32.39 62.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.648 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.03 -41.02 60.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.887 ' O ' HG22 ' A' ' 165' ' ' ILE . 9.0 tp10 -78.05 -35.37 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.2 t -49.51 -52.5 49.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.027 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.91 -33.01 5.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.568 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 18.2 m -55.32 -53.28 58.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.19 . . . . 0.0 110.409 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.887 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.06 -52.08 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.853 ' N ' HD13 ' A' ' 165' ' ' ILE . 56.0 m -45.84 -48.27 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 108.298 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -64.79 -48.67 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.646 ' HB3' ' CZ2' ' A' ' 191' ' ' TRP . 0.6 OUTLIER -63.27 -47.81 80.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.486 ' CB ' HG12 ' A' ' 104' ' ' ILE . . . -68.94 -35.57 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.56 -48.13 75.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.8 t0 -67.62 -42.05 82.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.592 1.182 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.888 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.38 -35.73 81.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.6 m -64.07 -50.62 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -56.98 -47.01 81.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 178' ' ' GLU . 0.6 OUTLIER -63.13 -35.44 80.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.71 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -56.87 -51.14 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.3 -27.09 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.1 OUTLIER -59.53 -72.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -75.25 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.236 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -160.66 -170.61 25.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' A' ' 185' ' ' GLN . 25.0 ptt? -89.43 -12.66 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.539 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -50.81 -49.24 80.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -74.96 -37.22 2.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.398 1.736 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.54 -44.32 87.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.8 tt0 -67.34 -37.09 82.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 1.013 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.5 t-20 -81.91 -24.4 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.55 -57.87 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.352 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.888 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.31 -55.0 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -70.09 -13.87 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 1.013 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.62 93.53 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.378 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.646 ' CZ2' ' HB3' ' A' ' 168' ' ' GLN . 20.0 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.999 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.445 0.165 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.72 -173.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -121.72 158.11 55.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.7 Cg_endo -74.95 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.486 1.782 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.1 mt -136.76 142.84 43.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.573 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -111.44 142.28 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.767 HG22 ' HA ' ' A' ' 62' ' ' LEU . 1.2 m -126.29 143.63 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.606 HG11 ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.06 122.19 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.75 108.18 3.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.913 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -89.58 94.13 9.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.402 0.707 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 68' ' ' TYR . . . -116.3 -149.63 9.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 22' ' ' HIS . 24.6 t-20 -136.61 127.16 16.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.03 -24.92 12.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.72 178.61 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -131.21 -179.0 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 m120 56.17 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.893 ' CE1' HD22 ' A' ' 151' ' ' LEU . 4.1 t80 -68.39 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.467 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -77.37 -40.75 42.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.1 tpt180 -51.38 -47.01 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.674 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 63.5 p -24.83 -45.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.674 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.63 -15.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -54.27 -4.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.719 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.7 t-20 -111.29 35.89 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.884 HD12 HD13 ' A' ' 135' ' ' ILE . 0.5 OUTLIER -65.17 -67.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -34.74 -60.36 0.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -63.93 -35.57 81.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.0 t -59.67 -42.03 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.887 HG21 HD11 ' A' ' 93' ' ' ILE . 26.5 t -71.09 -50.22 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -57.74 -45.71 85.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.4 t0 -59.15 -43.49 92.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -59.22 -62.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -58.5 -30.53 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.662 ' CB ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.53 -24.52 53.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -29.43 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -43.44 16.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -48.34 66.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.34 -8.85 79.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.74 144.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -90.42 61.15 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.917 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 40.0 m-85 -34.41 152.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -115.54 178.42 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.336 179.922 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.59 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -153.44 96.5 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 2.8 t60 179.82 -146.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.13 . . . . 0.0 109.647 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 87.64 161.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -27.87 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.046 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.866 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -82.14 -23.63 35.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 58.98 70.1 1.09 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.829 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -152.82 177.72 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.59 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 1.5 tp10 -89.47 149.32 22.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.6 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 10.5 p -175.01 158.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -163.67 128.91 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.34 126.76 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -114.32 107.47 1.85 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.64 107.76 17.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.51 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.22 -155.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 42.8 27.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.49 40.44 98.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.147 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.51 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 176.7 157.22 0.29 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 0.743 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -81.45 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -167.12 120.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 6' ' ' LEU . 37.2 t -101.0 110.73 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.767 ' HA ' HG22 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -91.97 116.89 29.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.45 161.61 28.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.87 110.46 0.24 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.829 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.03 -158.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' C ' ' N ' ' A' ' 68' ' ' TYR . 35.3 mmt180 -84.92 -85.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.597 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -44.39 -22.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 108.288 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 63.13 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.913 ' HA ' HD13 ' A' ' 10' ' ' LEU . 62.6 ttp -36.47 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.446 ' N ' ' HG2' ' A' ' 69' ' ' MET . 16.8 m120 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.592 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -57.61 -38.38 74.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.729 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.9 t -73.34 -55.78 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.54 -52.05 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.977 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.18 -48.18 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 1.9 tt0 -42.74 -51.29 5.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 5.7 mt -67.21 -44.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.86 -69.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.977 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.866 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.88 -39.38 62.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.8 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.89 -48.67 62.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.212 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -15.24 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -76.95 -45.11 28.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.527 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 16.6 m-85 -84.99 -10.93 56.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t 54.1 50.3 16.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.556 HG12 ' H ' ' A' ' 86' ' ' ALA . 2.2 t -95.98 173.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.556 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -81.56 153.6 70.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.99 -34.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.19 2.61 6.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.717 ' HA ' HD23 ' A' ' 5' ' ' LEU . 57.2 m-20 -103.05 -22.03 13.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 47.4 mt -86.8 133.25 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -135.96 119.24 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 132' ' ' ARG . 7.3 p -108.12 123.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.887 HD11 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -103.65 146.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.019 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.5 t60 -152.93 -177.1 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.418 ' H ' ' CG ' ' A' ' 94' ' ' HIS . 4.7 p-10 -110.24 141.42 43.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.546 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -149.33 157.41 43.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.49 113.25 25.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.478 ' O ' HD22 ' A' ' 99' ' ' LEU . 4.4 t0 -110.75 -70.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.66 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.5 OUTLIER -136.29 -88.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 138' ' ' GLY . 35.8 mp0 -94.44 175.51 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.575 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -92.97 59.07 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.068 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.498 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -178.19 40.63 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.573 1.17 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.627 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp85 -133.26 158.83 41.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.897 HG23 ' CG1' ' A' ' 165' ' ' ILE . 0.9 OUTLIER -122.98 160.13 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.8 OUTLIER -148.02 108.33 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.22 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.818 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.66 139.23 42.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 7.4 mtpt -153.15 -178.78 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.745 HG23 ' H ' ' A' ' 109' ' ' GLY . 2.2 tp -97.45 -90.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.745 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -140.49 51.3 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.602 1.188 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -102.81 49.72 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.6 -118.42 0.59 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.428 ' CD ' ' CZ ' ' A' ' 132' ' ' ARG . 2.5 mt-10 73.32 72.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -81.21 56.46 4.86 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 15.2 m80 -157.67 105.31 2.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 0.723 . . . . 0.0 109.585 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.63 -44.07 80.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.414 ' HA3' HD22 ' A' ' 10' ' ' LEU . . . -55.47 -62.95 5.74 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.582 HD13 ' HE ' ' A' ' 132' ' ' ARG . 9.7 mt -51.78 -45.38 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.223 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.7 mtt180 -58.65 -34.63 71.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 41.4 t -73.89 -30.23 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.773 HG13 HD12 ' A' ' 125' ' ' LEU . 2.2 t -69.8 -44.41 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.63 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.34 -39.95 83.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.14 -35.25 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -75.97 -51.5 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' A' ' 80' ' ' ALA . 16.0 mt -80.13 -21.45 43.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.63 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 83.7 0.22 89.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 86.04 121.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.72 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.1 mmtt -163.01 24.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.72 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 73.5 m-20 103.53 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 32.1 m-85 53.7 149.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -107.66 159.61 16.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.582 ' HE ' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -139.2 148.69 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 106' ' ' LEU . 16.8 t -130.77 86.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.504 ' C ' ' HG3' ' A' ' 105' ' ' ARG . 3.8 mpp_? -86.3 163.49 17.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.019 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -112.36 152.78 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -102.76 87.62 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.653 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.23 99.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.386 0.697 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.561 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . -125.8 -113.78 1.93 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.576 1.172 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.66 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER 77.13 62.26 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.734 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.1 Cg_endo -75.08 142.3 27.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -75.03 -40.26 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 173.51 70.97 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.403 1.065 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 43.32 33.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.797 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -87.55 -92.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 12.1 m-20 -130.66 99.85 18.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.408 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.95 -44.22 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.59 -46.96 71.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.63 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -54.86 -42.5 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -74.93 -29.9 61.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 179.954 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.578 HG13 ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -63.55 -33.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.893 HD22 ' CE1' ' A' ' 17' ' ' TYR . 11.6 mt -108.05 31.29 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.604 ' O ' HG22 ' A' ' 20' ' ' THR . 3.5 tp10 -68.81 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.608 ' C ' ' H ' ' A' ' 155' ' ' THR . 14.3 t-20 167.02 50.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.872 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -67.97 30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.98 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.67 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -9.4 -56.28 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.795 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.95 -80.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.872 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -41.92 -28.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.624 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 4.4 mt-10 -80.12 -42.42 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -75.5 -31.91 60.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.69 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -74.52 -41.31 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.757 ' O ' HG22 ' A' ' 165' ' ' ILE . 1.8 mm-40 -77.81 -36.39 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.2 t -48.33 -51.09 53.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 54.4 m -53.79 -53.59 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.972 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -77.15 -45.33 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.972 ' N ' HD13 ' A' ' 165' ' ' ILE . 13.6 m -50.86 -53.35 33.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 164' ' ' THR . 3.2 pt-20 -59.5 -47.19 86.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -60.58 -48.12 83.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.954 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.657 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -68.06 -36.52 79.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.64 -43.78 76.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 t0 -67.94 -45.48 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.047 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -60.15 -36.63 77.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.4 m -64.73 -52.73 55.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.652 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.29 -35.35 67.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.652 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -72.98 -41.36 64.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.781 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.1 tt -53.38 -42.48 66.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 56' ' ' ALA . 51.7 mt -77.82 -30.67 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.34 -32.36 73.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -159.6 -71.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.454 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.92 175.11 35.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -88.39 -16.6 32.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 111.034 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -46.81 -48.53 50.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.547 ' HG2' HD23 ' A' ' 175' ' ' LEU . 18.5 Cg_endo -74.98 -39.88 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -64.44 -36.92 85.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.38 -40.12 67.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.226 -179.932 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.935 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.1 t-20 -79.43 -20.48 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.54 -53.01 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.047 HG21 ' HB2' ' A' ' 172' ' ' ALA . 46.5 t -88.87 -57.57 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.2 t-80 -70.29 22.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.935 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -90.86 -31.57 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.521 ' CZ2' ' HD3' ' A' ' 103' ' ' ARG . 3.3 p-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.486 0.184 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.65 81.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -167.97 109.42 0.57 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.488 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -74.99 -175.95 2.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.083 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -122.77 125.94 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -111.77 138.61 48.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.78 HG12 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -133.44 143.83 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -132.97 116.88 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 64' ' ' LYS . . . -89.52 107.32 3.39 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.502 1.126 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.783 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.57 105.24 17.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -118.09 -147.34 8.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.517 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 21.6 t-20 -137.38 123.53 13.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.0 -25.26 12.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -58.42 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -155.64 -76.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -42.68 -45.87 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -89.48 -19.45 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -74.73 -28.74 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 21' ' ' ARG . 15.8 mmt85 -58.16 -13.49 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 p -75.82 22.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 65.06 8.85 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.568 ' CE1' ' NE2' ' A' ' 94' ' ' HIS . 34.2 t-80 -69.2 11.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.635 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.73 ' OD1' HG23 ' A' ' 27' ' ' VAL . 24.1 t-20 -111.11 -0.16 16.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.785 ' HB3' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -34.3 -59.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -35.84 -58.99 0.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CE2' ' OD2' ' A' ' 30' ' ' ASP . 30.5 t80 -80.79 -30.97 35.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.756 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.73 HG23 ' OD1' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -60.9 -47.28 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.724 HG13 HD12 ' A' ' 32' ' ' LEU . 2.1 t -74.36 -51.25 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.17 -35.25 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.623 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 57.3 m-20 -71.04 -56.0 7.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.37 -52.62 63.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.724 HD12 HG13 ' A' ' 28' ' ' VAL . 11.1 mt -58.35 -34.65 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -73.47 -54.87 7.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 -23.34 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 5.5 mpt_? -90.88 -57.1 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -60.61 -17.3 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.8 -5.46 82.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' A' ' 36' ' ' LEU . . . -32.56 144.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 0.732 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 52.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.681 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.35 -164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.12 -162.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -124.44 106.26 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.3 110.11 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.59 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -63.09 -53.52 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -45.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.817 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -60.31 -29.57 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 73.03 70.46 1.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 174.38 175.91 0.16 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.459 0.74 . . . . 0.0 109.398 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.8 mt-10 -85.21 145.96 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 10.3 m -145.11 118.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.681 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -114.08 110.73 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.35 124.95 40.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 -159.25 8.18 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.8 mtp180 -158.67 130.81 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -175.46 -170.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.488 ' H ' HG23 ' A' ' 177' ' ' ILE . . . 43.11 27.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 67.02 51.02 42.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 164.32 156.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 110.349 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.462 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -52.2 165.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.4 pp -143.59 113.01 6.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.503 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 25.9 t -106.54 102.52 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -106.85 104.62 14.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -120.48 173.54 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER 179.52 123.17 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.732 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -160.99 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.508 ' C ' ' N ' ' A' ' 68' ' ' TYR . 57.2 mmt-85 -79.43 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.14 -23.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.96 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.732 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.4 m-85 63.19 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.73 ' HA ' HD13 ' A' ' 10' ' ' LEU . 10.5 ttt -35.82 -93.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.667 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 4.3 t30 -61.51 -41.43 97.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -50.65 -48.8 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 68' ' ' TYR . 35.9 t -61.07 -52.38 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.872 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.47 -51.1 3.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.967 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.05 -56.63 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.644 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -39.68 -49.49 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.933 HG23 HD21 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -68.76 -45.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 179.924 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.967 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.07 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.58 -39.78 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.763 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.33 -51.0 49.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -15.79 60.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -75.8 -43.45 46.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.95 -10.69 59.89 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.7 t 50.92 45.97 26.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 HD21 ' A' ' 89' ' ' ASN . 4.4 p -105.09 169.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.562 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.35 149.0 51.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.705 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.06 -12.66 21.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.56 -18.87 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.755 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -103.39 -11.77 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.608 ' CG2' ' CD2' ' A' ' 130' ' ' PHE . 0.7 OUTLIER -95.96 131.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.942 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.78 ' CD1' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -137.49 141.9 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.84 ' C ' HD13 ' A' ' 93' ' ' ILE . 22.0 t -113.51 131.19 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.84 HD13 ' C ' ' A' ' 92' ' ' VAL . 0.4 OUTLIER -103.44 138.91 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.918 ' O ' HD12 ' A' ' 135' ' ' ILE . 5.5 t-160 -159.83 172.13 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.57 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.753 ' OD1' HD13 ' A' ' 137' ' ' ILE . 9.2 t70 -111.45 141.73 44.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 13.5 t0 -141.96 151.85 42.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -102.51 103.93 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.414 ' C ' ' HA3' ' A' ' 138' ' ' GLY . 0.6 OUTLIER -106.21 -82.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.4 OUTLIER -137.83 -44.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.0 OUTLIER -87.39 125.66 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.25 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 154' ' ' PHE . 1.5 t80 -90.96 33.62 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.499 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -178.79 49.22 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 135' ' ' ILE . 21.7 mmt-85 -135.95 173.65 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.87 HG23 HD11 ' A' ' 165' ' ' ILE . 1.5 pp -123.82 156.27 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -145.92 113.44 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.872 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -120.27 127.86 52.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 166.4 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 109.277 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.567 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.1 OUTLIER -94.68 -55.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.34 60.63 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.26 88.52 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.94 -150.97 9.57 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.21 67.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.97 -49.76 26.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 176.12 66.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.464 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 1.5 m-70 -118.84 147.31 44.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.547 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 120' ' ' SER . 6.2 m-20 -55.34 -63.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.511 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -56.74 -52.67 49.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.662 ' O ' HG12 ' A' ' 121' ' ' VAL . 11.9 mt -52.1 -50.58 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.386 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -67.96 -33.56 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 116' ' ' ASN . 33.5 t -72.51 -28.27 62.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.872 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.12 -43.18 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 126' ' ' GLY . 89.7 t -70.38 -30.62 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.8 -35.88 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -82.56 -43.25 17.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 130' ' ' PHE . 20.8 mt -79.61 -24.79 41.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 70.77 5.84 58.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.568 1.167 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.535 ' O ' ' CD ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER 56.83 158.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 110.404 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 5.7 tptt 170.14 35.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.626 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.9 t70 92.31 19.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 1.061 ' CE2' HD13 ' A' ' 125' ' ' LEU . 28.3 m-85 -54.37 166.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.521 ' OE1' HG22 ' A' ' 91' ' ' ILE . 75.4 mt-30 -109.89 154.65 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.55 147.4 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.805 ' HB ' HD12 ' A' ' 93' ' ' ILE . 58.5 t -135.41 83.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -90.53 144.06 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.918 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.8 mp -95.52 149.46 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -93.67 107.18 3.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.753 HD13 ' OD1' ' A' ' 95' ' ' ASP . 1.0 OUTLIER -116.6 19.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' HA3' ' N ' ' A' ' 99' ' ' LEU . . . -58.49 -154.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.521 ' CB ' ' HB2' ' A' ' 101' ' ' PHE . 0.8 OUTLIER 78.18 81.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.24 13.11 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.55 1.816 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -79.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.565 1.824 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 144' ' ' LYS . . . 178.83 79.03 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.925 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.58 26.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 142' ' ' GLY . 0.8 OUTLIER -95.64 -79.53 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.939 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 1.02 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.0 OUTLIER -149.62 97.25 3.52 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.5 Cg_endo -74.86 -60.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.453 1.765 . . . . 0.0 111.073 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.95 -42.84 80.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 1.02 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.45 -42.17 91.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 1.4 t80 -77.28 -27.71 53.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.701 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -69.16 -30.74 47.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.374 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 151' ' ' LEU . 13.7 mt -83.24 7.86 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 4.9 tp10 -109.65 -117.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 6.0 t-20 152.08 144.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 1.033 ' CG ' ' HB3' ' A' ' 157' ' ' ALA . 0.0 OUTLIER -79.03 39.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.68 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -6.42 -58.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.772 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -78.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 1.033 ' HB3' ' CG ' ' A' ' 154' ' ' PHE . . . -44.34 -29.67 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.647 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -78.47 -37.35 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.002 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -57.93 -45.67 86.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.68 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.77 -33.85 52.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 1.04 ' O ' HG22 ' A' ' 165' ' ' ILE . 78.9 mt-10 -75.08 -38.28 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -52.47 -52.78 60.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.002 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.93 -26.45 11.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.636 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.6 m -64.58 -58.05 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 1.04 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -69.0 -54.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.231 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.684 ' N ' HD13 ' A' ' 165' ' ' ILE . 61.5 m -43.61 -44.0 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.06 -42.4 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 165' ' ' ILE . 0.1 OUTLIER -67.35 -46.87 72.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.853 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.94 -36.42 82.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -63.44 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.2 t0 -68.02 -43.94 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.056 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.22 -42.66 86.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.39 -52.22 54.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.936 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -56.68 -48.27 78.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -63.13 -37.97 89.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.759 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.6 tt -55.64 -44.62 77.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.488 HG23 ' H ' ' A' ' 56' ' ' ALA . 9.2 mt -73.55 -27.84 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.94 -41.84 97.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -150.76 -71.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.439 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -155.96 176.33 33.47 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.409 ' HB3' ' HG ' ' A' ' 176' ' ' LEU . 8.1 ptp -89.14 -15.38 33.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.0 OUTLIER -46.41 -48.12 46.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.93 -39.1 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.52 -38.34 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.599 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.32 -39.56 65.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.886 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 35.1 m-20 -79.54 -19.54 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.61 -53.17 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.056 HG21 ' HB2' ' A' ' 172' ' ' ALA . 18.9 t -87.19 -66.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.599 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.8 t-80 -53.48 -12.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.672 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -117.45 67.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.672 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 19.4 m-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mtp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.496 0.189 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.32 80.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -158.87 95.22 1.8 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.264 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 152.5 40.97 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.649 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -119.59 126.97 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.755 HD22 HG12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -104.33 143.74 32.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.974 HG12 ' CG1' ' A' ' 91' ' ' ILE . 3.7 m -131.32 140.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -135.45 120.4 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.41 110.39 3.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.588 1.18 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.887 HD13 ' CA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -97.44 98.55 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.67 -148.54 8.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.63 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 20.9 t-20 -129.81 119.83 19.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.02 150.72 38.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.763 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 43.3 -164.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.408 1.067 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.6 104.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 0.781 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -56.39 -17.83 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 151' ' ' LEU . 10.7 t80 -68.05 -17.59 64.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 12' ' ' ASN . . . -71.09 -36.36 72.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.0 tpt85 -44.88 -44.48 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.571 HG21 ' O ' ' A' ' 151' ' ' LEU . 62.8 p -34.12 -34.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.814 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.2 mtt-85 155.89 -16.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.609 ' CE1' HD21 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -58.3 0.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.681 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -117.36 30.14 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -58.44 -55.92 28.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -37.46 -64.83 0.68 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.067 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD1' ' HD2' ' A' ' 64' ' ' LYS . 6.1 t80 -69.76 -31.15 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.796 . . . . 0.0 111.021 179.93 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.3 t -60.82 -41.17 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.523 ' HB ' HD11 ' A' ' 93' ' ' ILE . 9.0 t -73.02 -51.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -59.03 -32.6 69.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.3 m-20 -68.55 -49.53 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.21 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.36 -56.33 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.92 -55.83 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.91 -20.1 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.22 -29.59 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -42.68 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -20.92 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.4 55.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.39 1.056 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.82 174.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 61.3 1.62 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.722 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.1 -162.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -155.28 -165.41 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -166.71 142.47 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' ALA . 6.0 t-80 -136.11 179.06 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.42 -165.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.2 tpm_? 34.65 -139.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.417 ' H ' ' CG ' ' A' ' 45' ' ' ARG . 84.7 p -72.53 52.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -128.99 -66.32 0.11 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 43.83 -170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.614 0.832 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -72.09 143.25 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -160.95 133.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.722 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -136.77 121.93 19.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 126.31 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.36 134.33 5.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 3.5 mtp180 -111.79 110.86 21.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 0.812 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 3.9 m -164.98 -176.89 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.49 17.63 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.259 179.901 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.16 38.86 38.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 tpm_? 177.22 158.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 1.6 t -74.46 168.82 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.1 pp -152.63 115.79 4.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.706 HG11 HD11 ' A' ' 6' ' ' LEU . 73.4 t -108.15 91.52 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.95 ' HA ' HG23 ' A' ' 7' ' ' VAL . 1.1 tm? -86.22 110.93 19.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.55 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . . . -126.1 173.98 8.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.611 ' CE ' HD11 ' A' ' 62' ' ' LEU . 1.4 pttp 173.14 119.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.756 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.13 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.1 mmt180 -80.08 -85.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.558 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.79 -15.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 108.338 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.635 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.5 m-85 60.3 -82.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.887 ' CA ' HD13 ' A' ' 10' ' ' LEU . 36.3 ttp -39.27 -90.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.689 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 26.3 m-20 -60.21 -44.45 95.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.2 OUTLIER -48.88 -42.99 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.635 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.5 m -64.7 -54.8 25.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.846 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.3 -52.38 3.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.609 1.193 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.62 -54.63 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.1 mm-40 -43.01 -48.65 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.728 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.4 mt -68.0 -44.16 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.4 -67.54 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.92 -47.34 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.65 -42.18 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.804 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.78 -49.61 65.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -16.42 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.731 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.1 t80 -75.98 -37.56 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -77.06 -9.53 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.6 p 48.55 45.25 21.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.62 173.23 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -79.7 129.59 70.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.606 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.0 Cg_endo -74.98 -1.17 10.87 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.71 -8.94 47.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 6' ' ' LEU . 9.6 p30 -101.79 -10.69 19.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.755 HG12 HD22 ' A' ' 6' ' ' LEU . 18.3 mt -85.76 134.65 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.974 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -136.26 115.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 8.8 p -100.63 129.97 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.245 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.915 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -107.13 145.76 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.992 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.3 t60 -153.65 169.08 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.438 ' HA ' ' HB ' ' A' ' 135' ' ' ILE . 1.4 p30 -104.93 143.7 32.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.676 ' O ' HD13 ' A' ' 137' ' ' ILE . 4.4 t0 -151.64 166.49 31.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.584 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.9 OUTLIER -98.66 114.02 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -108.39 -84.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.1 OUTLIER -138.16 -73.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -91.53 165.55 13.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -95.27 123.92 39.04 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.755 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 98.61 52.7 1.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.647 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -135.26 126.97 29.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.757 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.1 pp -102.12 153.07 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -147.76 115.69 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.814 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.63 138.0 41.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 12.8 mtpt -149.54 179.5 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 130' ' ' PHE . 1.4 tp -129.79 -87.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.766 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -61.83 -79.7 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -56.04 94.9 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . -170.07 -149.37 6.32 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 43.91 64.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.92 -95.81 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -125.49 80.19 0.36 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.46 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 77.4 m-70 -137.79 126.13 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.23 -44.86 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.461 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -62.72 -58.66 11.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.731 ' O ' HG12 ' A' ' 121' ' ' VAL . 12.4 mt -52.16 -46.83 65.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.517 ' O ' HG12 ' A' ' 122' ' ' VAL . 5.9 ttt180 -62.08 -32.31 72.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 7.8 t -74.1 -27.4 60.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.846 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.92 -43.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.8 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.41 -44.86 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.421 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.82 -35.85 72.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.23 -45.02 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.804 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -81.0 -22.26 39.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.81 4.54 76.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 77.72 122.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 21.1 tptt -167.84 30.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.5 m-20 88.36 117.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.837 ' O ' HD12 ' A' ' 108' ' ' ILE . 43.0 p90 -167.56 160.18 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -130.11 166.59 19.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.448 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -147.03 150.29 34.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.915 ' HB ' HG22 ' A' ' 93' ' ' ILE . 6.6 t -119.19 89.52 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.356 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 7.2 mtp180 -85.92 163.08 18.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.992 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.0 mp -122.09 142.67 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.95 91.8 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.944 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -104.5 102.66 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' A' ' 101' ' ' PHE . . . -121.26 -125.39 3.18 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER 71.14 61.14 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -74.97 156.15 43.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.54 1.81 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.63 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.4 Cg_endo -74.93 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.47 25.96 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 73.97 3.05 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 0.81 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.453 ' CG ' ' HG2' ' A' ' 141' ' ' PRO . 0.0 OUTLIER -58.16 -61.39 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.607 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -137.31 99.84 9.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.419 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.98 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.52 -43.85 88.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.607 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -57.17 -43.85 82.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.63 ' CD2' ' HD3' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -76.66 -25.07 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 111.02 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.944 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -63.67 -43.24 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.609 HD21 ' CE1' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -110.7 35.16 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.594 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.0 OUTLIER -56.38 -81.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.651 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.3 t-20 148.69 50.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.805 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -66.65 27.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.651 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.76 -51.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.457 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.71 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.05 -71.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.805 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.15 -42.62 9.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.677 ' O ' ' N ' ' A' ' 162' ' ' VAL . 20.3 mt-10 -73.59 -30.91 63.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 1.038 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.04 -38.96 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.627 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.13 -36.23 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.391 179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 1.8 mm-40 -77.93 -33.9 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -55.69 -53.15 65.86 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.038 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -31.11 6.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.537 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -69.84 -49.55 51.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.755 HD13 ' O ' ' A' ' 102' ' ' GLY . 5.3 tp -72.85 -58.95 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.584 ' HB3' HD22 ' A' ' 31' ' ' LEU . 87.5 m -44.61 -47.76 10.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.0 tt0 -58.59 -47.76 83.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.603 ' CG ' ' CH2' ' A' ' 191' ' ' TRP . 1.1 tp60 -65.19 -42.68 93.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.757 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.63 -40.65 80.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.35 -42.68 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 11.3 m-20 -67.37 -44.63 78.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.997 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.29 -43.05 87.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.5 m -62.84 -52.19 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -60.08 -44.58 94.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -67.99 -42.79 80.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 176' ' ' LEU . 3.4 tt -50.2 -48.26 54.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -74.22 -28.27 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.89 -31.23 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -154.84 -72.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -163.75 173.02 39.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.5 1.125 . . . . 0.0 111.085 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.9 ppp? -84.27 -28.0 27.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -38.73 -51.62 3.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.96 -37.74 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.83 -38.53 91.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.627 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.05 -40.74 68.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.805 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 52.0 m-20 -78.06 -21.12 51.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -95.58 -52.37 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.997 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.8 t -89.11 -57.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.627 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 17.5 t-80 -67.16 21.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -140.15 78.63 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.603 ' CH2' ' CG ' ' A' ' 168' ' ' GLN . 14.0 m95 . . . . . 0 C--N 1.324 -0.51 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.5 0.191 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.62 91.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -173.7 75.69 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.5 Cg_endo -74.94 166.2 29.74 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -121.49 135.97 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -108.85 144.34 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.031 HG12 ' CG1' ' A' ' 91' ' ' ILE . 1.4 m -131.58 140.96 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.38 125.36 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.01 113.72 4.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.647 HD21 ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -91.8 117.26 29.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.54 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -135.08 -141.24 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.46 HD21 ' HA ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -137.56 126.56 14.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.36 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.91 93.01 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.611 1.848 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 34.0 55.76 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.43 150.58 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.381 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -60.71 -14.65 22.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.989 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -89.44 -17.99 27.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.0 -25.7 22.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.9 mmt180 -49.92 -43.24 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.989 HG22 ' O ' ' A' ' 17' ' ' TYR . 4.2 t -76.58 26.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.824 ' HB3' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 64.95 22.74 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.951 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.43 6.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.581 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' ARG . 60.9 t30 -126.43 35.56 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -61.28 -48.67 80.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.835 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -47.77 -47.06 24.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.8 t80 -82.83 -31.85 27.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.647 HG21 ' NH1' ' A' ' 21' ' ' ARG . 2.1 t -66.87 -37.74 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 24' ' ' LEU . 16.2 t -78.85 -52.43 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 1.091 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.71 -34.88 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.2 t70 -74.18 -49.13 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -61.63 -18.25 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -82.77 -26.7 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 6.5 mpt_? -99.38 -42.72 6.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -22.96 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.06 -4.02 82.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -32.05 148.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.7 60.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.722 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -79.46 -156.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -161.81 -161.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -136.79 145.49 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.52 145.06 35.33 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.41 -49.9 7.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.6 mtt180 -38.3 -46.9 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.814 ' CB ' HD11 ' A' ' 79' ' ' LEU . 3.5 m -92.17 -30.62 15.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.95 66.23 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.552 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -174.72 -172.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.595 ' OE1' ' CZ ' ' A' ' 40' ' ' PHE . 2.0 mm-40 -112.8 149.48 32.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 34.5 m -148.32 151.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -145.72 124.37 12.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.03 124.43 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.38 113.84 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -111.44 104.64 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -172.03 -159.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.545 ' CB ' HG22 ' A' ' 177' ' ' ILE . . . 40.68 29.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.0 48.1 87.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER 168.27 154.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 0.748 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -81.46 165.75 20.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.5 pp -154.73 109.28 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 6' ' ' LEU . 39.7 t -102.56 95.24 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 1.091 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -88.28 115.32 25.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -125.8 171.35 10.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.822 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER 179.21 112.94 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.689 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 -156.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.496 ' C ' ' N ' ' A' ' 68' ' ' TYR . 79.6 mmt-85 -83.17 -84.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.594 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -47.96 -18.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.333 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.753 ' O ' ' N ' ' A' ' 72' ' ' SER . 20.2 m-85 60.92 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER -37.5 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.65 -39.73 73.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -56.07 -36.62 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -72.26 -56.78 4.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.871 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.88 -52.1 3.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.46 -48.57 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.613 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.0 tm0? -45.64 -49.63 14.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.784 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.67 -46.68 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.93 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.02 -47.3 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.814 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.5 -40.2 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.784 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.06 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -15.38 60.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.96 -45.01 37.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.584 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 14.8 m-85 -82.11 -12.21 58.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.9 p 55.98 52.33 10.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 109.949 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.584 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.9 t -104.58 172.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.123 ' HB3' ' ND2' ' A' ' 89' ' ' ASN . . . -81.66 150.84 67.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.93 -30.43 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.35 2.53 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 1.123 ' ND2' ' HB3' ' A' ' 86' ' ' ALA . 70.1 m-20 -101.98 -20.56 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.99 135.42 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.031 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -135.81 122.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 133' ' ' VAL . 10.0 p -104.62 137.05 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.002 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -116.35 147.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.836 ' O ' HD12 ' A' ' 135' ' ' ILE . 1.8 t60 -155.78 164.01 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.642 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -95.92 143.48 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -161.86 155.05 20.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.915 HD12 ' HD3' ' A' ' 140' ' ' PRO . 0.6 OUTLIER -87.62 115.72 25.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.733 ' O ' HD22 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -119.45 -65.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 98' ' ' ASP . 4.0 mm? -126.67 -103.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' A' ' 138' ' ' GLY . 19.6 mp0 -91.61 165.77 13.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' O ' ' CG ' ' A' ' 161' ' ' GLU . 4.0 m-85 -84.79 75.19 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.948 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.669 ' O ' ' CH2' ' A' ' 191' ' ' TRP . . . 159.59 41.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.705 HH21 HD23 ' A' ' 99' ' ' LEU . 4.4 tmm_? -134.76 157.23 47.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 0.776 . . . . 0.0 110.244 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.714 ' CG2' HD11 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -121.89 154.9 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 134' ' ' ARG . 5.9 ttt-85 -140.42 111.1 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.785 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.72 139.59 40.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.67 167.29 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -107.88 -55.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.521 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.7 64.05 0.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.79 -102.61 0.31 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 173.35 98.52 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -42.58 -30.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.215 -179.889 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.5 -114.64 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.37 93.78 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.452 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 34.0 m80 -150.6 138.88 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.756 . . . . 0.0 109.621 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.4 m-80 -71.31 -58.77 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.32 -58.08 10.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.748 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.0 mt -54.44 -52.62 61.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 6.3 ttm180 -58.49 -33.11 69.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 116' ' ' ASN . 2.7 t -70.18 -29.82 66.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.871 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.35 -43.2 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 126' ' ' GLY . 12.3 t -68.28 -32.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.55 -43.38 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -67.08 -45.98 75.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.967 HD13 ' CE2' ' A' ' 130' ' ' PHE . 16.5 mt -81.31 -21.09 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.08 6.96 81.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.419 ' OG1' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 71.89 126.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.359 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -162.46 27.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 8.4 m-20 74.45 96.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 0.967 ' CE2' HD13 ' A' ' 125' ' ' LEU . 84.3 m-85 -122.71 -177.5 3.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.593 ' OE1' HG22 ' A' ' 91' ' ' ILE . 67.0 mt-30 -115.3 154.56 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 133' ' ' VAL . 4.6 ttp-105 -138.8 165.43 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 1.002 ' HB ' HG22 ' A' ' 93' ' ' ILE . 25.2 t -154.21 86.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -90.06 141.69 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 94' ' ' HIS . 1.7 mp -98.16 142.88 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.49 106.69 3.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.642 HG21 ' OD2' ' A' ' 95' ' ' ASP . 1.2 pp -113.11 92.73 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.498 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 64.01 175.02 3.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.555 ' O ' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER -146.0 158.78 48.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 110.299 -179.947 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.915 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.5 Cg_endo -74.95 150.93 39.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -74.99 -27.55 9.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 172.0 69.76 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.435 1.084 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 51.9 20.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.97 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.7 OUTLIER -158.92 95.53 1.77 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.424 ' HA ' HD11 ' A' ' 97' ' ' LEU . 18.5 Cg_endo -75.02 -57.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.55 80.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.97 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -58.27 -39.82 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 139' ' ' ARG . 0.1 OUTLIER -70.74 -28.75 64.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.951 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.647 HG23 HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -75.49 -27.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' A' ' 17' ' ' TYR . 35.9 mt -98.42 47.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.0 mm-40 -76.52 -108.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 11.1 t30 150.99 45.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.887 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.17 30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.963 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -13.76 -54.76 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 110.373 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.827 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.03 -78.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.887 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -42.29 -29.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 162' ' ' VAL . 2.9 mm-40 -81.48 -42.32 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -73.41 -32.59 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.698 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.2 -40.54 52.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.602 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 32.3 mm-40 -77.92 -35.22 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.4 t -50.37 -50.84 68.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.0 -32.22 5.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.5 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.9 m -56.06 -53.98 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.795 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.1 OUTLIER -76.75 -41.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.795 ' N ' HD13 ' A' ' 165' ' ' ILE . 46.6 t -49.81 -51.23 41.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.339 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.29 -52.01 60.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.09 -48.24 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.509 ' O ' ' HB ' ' A' ' 173' ' ' THR . . . -71.33 -32.2 68.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 170' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -54.71 -46.9 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 33.7 m-20 -71.55 -46.78 58.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 1.05 ' HB3' HG23 ' A' ' 188' ' ' VAL . . . -60.23 -48.98 79.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 170' ' ' ALA . 3.3 t -60.44 -39.94 89.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -56.24 -49.42 74.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.945 HD21 ' HG2' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -59.14 -46.72 87.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.837 HD22 ' HB1' ' A' ' 184' ' ' ALA . 0.7 OUTLIER -47.34 -55.94 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.545 HG22 ' CB ' ' A' ' 56' ' ' ALA . 58.5 mt -64.71 -25.16 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.642 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.4 OUTLIER -60.16 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.955 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.11 25.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 180' ' ' GLY . . . . . 0.719 ' O ' HD12 ' A' ' 176' ' ' LEU . . . -122.93 165.1 15.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.541 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 6.1 ptt? -151.46 -41.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 tp10 -60.66 -46.96 97.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.945 ' HG2' HD21 ' A' ' 175' ' ' LEU . 18.3 Cg_endo -75.06 -36.17 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.837 ' HB1' HD22 ' A' ' 176' ' ' LEU . . . -61.89 -45.29 94.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.64 -36.93 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.922 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 57.4 t30 -76.77 -23.1 52.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.3 tpt180 -103.03 -55.98 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 1.05 HG23 ' HB3' ' A' ' 172' ' ' ALA . 0.5 OUTLIER -73.97 -58.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -72.18 -2.02 17.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -142.54 99.89 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.669 ' CH2' ' O ' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.446 0.165 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.08 145.9 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -179.93 80.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.468 ' CB ' ' OG ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.96 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.93 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -131.02 164.47 25.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -118.92 140.72 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 ' CG1' ' A' ' 91' ' ' ILE . 21.2 t -124.57 141.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.51 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -130.48 124.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.06 111.1 4.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.803 ' CD1' HG13 ' A' ' 92' ' ' VAL . 2.1 mp -82.07 96.06 7.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -108.67 -162.85 20.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 34.5 t-20 -139.67 120.17 9.37 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.451 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.96 3.91 5.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -59.33 -156.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.61 -96.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -48.6 -36.26 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE1' HD22 ' A' ' 151' ' ' LEU . 8.2 t80 -88.34 -24.44 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 -26.11 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 21' ' ' ARG . 14.1 mmt180 -56.99 -15.42 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 151' ' ' LEU . 70.5 p -74.37 12.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.666 ' HD3' HG11 ' A' ' 162' ' ' VAL . 0.0 OUTLIER 80.71 5.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -56.14 -2.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.179 . . . . 0.0 109.622 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 21' ' ' ARG . 6.1 p30 -97.41 6.39 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.391 1.057 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 135' ' ' ILE . 1.4 tp -36.61 -61.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.594 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . -41.44 -44.37 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASN . 14.6 t80 -82.02 -35.38 28.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 1.7 t -67.38 -42.47 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.734 HG22 ' SG ' ' A' ' 166' ' ' CYS . 39.8 t -78.01 -36.63 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.906 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.88 -47.36 80.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.596 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 57.3 t0 -66.76 -43.14 84.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.514 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.03 -56.39 16.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 8.8 mt -57.11 -59.07 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -60.29 -13.47 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.24 -21.22 19.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -38.79 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -52.72 -21.18 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.93 -9.32 78.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 52' ' ' THR . . . -83.66 145.4 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.48 64.27 1.25 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 1.1 t80 -51.61 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -169.72 -168.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.765 ' HB2' ' CD ' ' A' ' 49' ' ' GLU . . . -134.42 152.47 51.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 10.1 t-160 82.97 -42.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.03 179.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt180 89.82 -71.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.651 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -172.93 32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.57 57.15 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.565 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -179.15 172.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.765 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 2.2 tt0 -86.37 151.33 23.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 62.1 t -155.27 155.1 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -168.07 110.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.575 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -63.23 164.58 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 110.336 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.655 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -150.26 120.92 1.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.572 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.12 116.56 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 36' ' ' LEU . 0.6 OUTLIER 171.37 178.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.509 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 60.92 13.15 4.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.62 33.88 37.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 55' ' ' SER . 6.4 tpm_? -179.04 152.85 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -81.94 173.19 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -161.33 126.34 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.27 103.21 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.906 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -90.04 113.33 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 50' ' ' VAL . . . -123.96 168.41 12.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.82 117.89 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.708 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.96 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' C ' ' N ' ' A' ' 68' ' ' TYR . 30.0 mmt180 -79.5 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.37 -20.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 108.298 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.7 m-85 61.25 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 1.0 OUTLIER -37.99 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.06 -34.13 77.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -58.28 -41.68 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.4 t -68.86 -51.01 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.617 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.12 -51.23 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.51 -47.02 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.606 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 5.7 tp60 -46.54 -49.97 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 26.4 mt -68.36 -44.85 83.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.63 -68.15 0.11 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.574 1.829 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.651 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.1 -40.19 63.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.815 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.73 -51.04 53.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -16.86 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.669 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -75.27 -44.59 45.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CE2' ' NH2' ' A' ' 45' ' ' ARG . 14.5 m-85 -85.99 -11.4 53.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.5 t 55.96 50.53 13.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.839 HG11 HD11 ' A' ' 90' ' ' ILE . 1.9 p -96.52 166.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.31 156.0 42.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.576 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.3 Cg_endo -75.02 -12.77 21.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.42 1.747 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.07 0.12 33.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.93 ' O ' HD12 ' A' ' 5' ' ' LEU . 16.2 m-20 -120.1 -14.73 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.839 HD11 HG11 ' A' ' 85' ' ' VAL . 51.1 mm -87.47 122.32 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.975 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -128.97 115.06 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -101.76 117.69 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.921 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.67 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -100.84 141.81 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -157.8 165.65 34.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.54 179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.724 ' CB ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -90.27 142.16 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -150.14 153.2 35.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.597 HD21 ' CG2' ' A' ' 150' ' ' VAL . 4.0 mp -85.89 114.41 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -109.69 -83.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.1 OUTLIER -136.23 -75.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.8 mt-10 -92.9 171.08 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.11 49.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.973 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -176.39 43.36 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.652 ' O ' HG23 ' A' ' 135' ' ' ILE . 9.6 tpt180 -130.17 161.79 30.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.883 HD13 ' CB ' ' A' ' 169' ' ' ALA . 0.6 OUTLIER -122.6 160.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.627 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.6 OUTLIER -151.18 94.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.923 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.36 143.75 32.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.506 ' N ' HD22 ' A' ' 106' ' ' LEU . 1.9 ttmt -154.15 174.81 14.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.686 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -102.93 -88.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.642 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -131.09 42.1 1.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.01 -39.64 16.06 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.47 132.43 1.85 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -76.52 87.42 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -37.32 -91.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -58.13 -112.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.575 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 0.1 OUTLIER 158.5 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.607 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -55.16 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.563 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -74.21 -28.6 63.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 122' ' ' VAL . 9.4 mt -64.38 -58.87 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.5 ttt180 -65.8 -35.29 80.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 m -62.94 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.617 HG22 ' HA2' ' A' ' 73' ' ' GLY . 16.1 t -71.15 -41.03 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 118' ' ' LEU . 11.5 t -72.78 -26.01 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.0 60.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -82.49 -46.32 13.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 1.052 HD13 ' CE1' ' A' ' 130' ' ' PHE . 20.4 mt -79.43 -21.81 45.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 76.1 7.29 84.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.554 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 85.77 122.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.666 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 1.8 tppt? -143.73 10.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.686 ' O ' HD11 ' A' ' 108' ' ' ILE . 8.7 t0 80.98 20.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.917 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 130' ' ' PHE . . . . . 1.052 ' CE1' HD13 ' A' ' 125' ' ' LEU . 73.0 m-85 -51.18 158.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.561 ' HG3' HD13 ' A' ' 108' ' ' ILE . 69.5 mt-30 -95.08 157.32 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.38 150.74 42.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.645 1.216 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 106' ' ' LEU . 23.8 t -133.47 86.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.386 1.054 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.627 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 mtp-105 -88.81 144.77 26.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 1.041 HD13 HD23 ' A' ' 24' ' ' LEU . 3.5 mp -97.57 152.03 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -105.85 100.47 1.68 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.155 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.574 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.3 pp -118.79 98.78 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 109.233 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -117.73 -108.71 2.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.656 ' N ' ' HD3' ' A' ' 140' ' ' PRO . 3.4 tpm_? 67.09 51.06 0.6 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.446 0.733 . . . . 0.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.656 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -75.06 155.0 42.6 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.441 1.758 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 141' ' ' PRO . . . . . 0.546 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.2 Cg_endo -74.92 -42.48 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.31 28.72 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.35 7.44 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 0.814 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.449 ' CG ' ' HG2' ' A' ' 141' ' ' PRO . 0.0 OUTLIER -58.07 -59.88 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.644 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 14.7 m-20 -144.97 97.07 4.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.82 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.63 63.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.644 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -55.37 -39.88 70.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 149' ' ' PHE . . . . . 0.551 ' CE1' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -76.32 -32.02 58.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.597 ' CG2' HD21 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.87 -31.57 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 46.4 mt -87.27 20.72 2.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.66 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.3 OUTLIER -59.36 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 153' ' ' ASN . . . . . 0.66 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.0 t30 141.61 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 154' ' ' PHE . . . . . 0.749 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 1.2 m-85 -70.98 28.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 155' ' ' THR . . . . . 0.583 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.65 -50.7 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.749 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.98 -73.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 157' ' ' ALA . . . . . 0.68 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.25 -43.25 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 1.146 ' O ' HG13 ' A' ' 162' ' ' VAL . 1.2 mt-10 -69.98 -37.95 75.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 159' ' ' ARG . . . . . 0.934 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 1.1 mmm-85 -52.48 -39.42 61.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.928 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -83.35 -27.71 29.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.99 ' O ' HG22 ' A' ' 165' ' ' ILE . 28.2 mt-10 -79.15 -37.76 37.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 1.146 HG13 ' O ' ' A' ' 158' ' ' GLU . 4.5 m -62.02 -35.32 20.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 1.061 ' HD3' HG22 ' A' ' 162' ' ' VAL . 18.0 Cg_endo -75.09 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.501 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 6.0 m -55.69 -46.76 77.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.99 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.44 -51.49 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.925 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 166' ' ' CYS . . . . . 0.807 ' N ' HD13 ' A' ' 165' ' ' ILE . 40.2 m -51.0 -53.84 29.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.259 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 9.6 pt-20 -58.02 -47.85 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 168' ' ' GLN . . . . . 0.592 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 6.1 mm-40 -63.66 -39.71 95.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 169' ' ' ALA . . . . . 0.883 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -72.39 -41.24 66.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.31 70.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 171' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 13.3 m-20 -69.11 -41.13 77.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 172' ' ' ALA . . . . . 0.608 ' HB2' HG23 ' A' ' 188' ' ' VAL . . . -63.53 -38.27 90.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.6 m -63.89 -51.51 64.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.66 -43.54 85.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 175' ' ' LEU . . . . . 0.544 ' CD2' ' HB2' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -66.34 -35.97 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 176' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 181' ' ' MET . 6.4 tp -55.76 -54.37 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.509 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 70.0 mt -73.26 -20.05 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -64.29 -76.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -106.55 -72.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.32 9.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 181' ' ' MET . . . . . 0.687 ' HA ' HD12 ' A' ' 176' ' ' LEU . 14.0 ptt? -100.92 -17.18 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 182' ' ' GLU . . . . . 0.505 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -42.33 -51.74 10.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.565 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.99 -44.21 90.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.9 tt0 -67.5 -37.83 83.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.844 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.8 -24.27 36.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -97.83 -57.5 2.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 188' ' ' VAL . . . . . 0.779 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -67.37 -48.23 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.1 OUTLIER -82.29 15.23 2.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 190' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -74.83 -44.45 49.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 191' ' ' TRP . . . . . 0.604 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 17.7 p90 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HA ' ' HG3' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -75.0 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -135.08 141.7 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.373 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -114.68 141.49 47.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.697 HG13 ' CG1' ' A' ' 91' ' ' ILE . 16.1 t -126.85 143.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.646 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.71 120.91 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.81 109.13 3.78 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.443 1.089 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -95.42 117.03 29.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -140.54 -144.99 4.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' HIS . 40.1 t-20 -136.12 129.08 17.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.557 1.82 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.67 -110.48 1.09 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -176.69 -136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m120 57.83 -80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.664 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -75.51 -17.38 60.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.68 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -71.11 -25.07 62.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 109.308 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.784 ' HG3' HG23 ' A' ' 155' ' ' THR . 0.5 OUTLIER -57.72 -31.78 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 p -76.86 35.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.61 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.7 mmp_? 58.6 14.24 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.4 t-160 -66.25 9.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.7 ' O ' HG23 ' A' ' 27' ' ' VAL . 4.1 t-20 -130.62 41.22 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -63.41 -49.88 72.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.71 -46.36 67.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -79.18 -25.78 42.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.727 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.3 t -73.67 -42.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -37.93 37.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.596 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -64.46 -45.06 89.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' PHE . 1.4 m-20 -64.17 -45.65 87.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -56.46 -60.65 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.64 -24.56 63.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -75.76 -54.37 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.56 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -53.77 7.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.75 93.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -9.51 77.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.17 144.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 85.71 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.851 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 74.3 m-85 -61.6 -179.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -157.35 -165.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -152.05 118.88 5.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 9.6 t-160 -176.07 -127.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.412 ' H ' ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 69.93 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -45.6 -26.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.645 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -77.85 -49.69 13.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.053 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.52 54.37 1.34 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -135.46 -179.62 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 2.6 tp10 -84.91 149.34 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.626 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.8 p -174.72 167.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.851 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -169.95 146.96 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.58 151.31 21.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -146.53 131.04 3.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -107.42 131.06 54.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 110.297 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 170.46 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.761 ' HA ' HG23 ' A' ' 177' ' ' ILE . . . 43.66 28.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 59.52 42.17 97.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HG3' ' HA ' ' A' ' 4' ' ' PRO . 5.3 tpm_? -176.98 155.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.87 165.98 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 1.4 pp -145.09 126.0 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 6' ' ' LEU . 14.3 t -108.9 98.57 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.626 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -96.49 113.23 24.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.503 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -121.75 169.72 10.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.62 116.84 0.15 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.89 -156.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.7 mmt180 -88.89 -87.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -42.43 -24.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.306 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 72' ' ' SER . 25.2 m-85 62.56 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.7 ttt -28.68 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.11 -36.19 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 74' ' ' ARG . 2.2 mt-10 -59.11 -33.15 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.884 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.2 t -76.5 -53.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.897 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -44.68 -50.91 8.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.977 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.25 -49.24 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -44.77 -49.71 10.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.924 ' CG2' HD11 ' A' ' 125' ' ' LEU . 4.9 mm -68.01 -46.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.32 -68.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.977 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.95 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.74 -39.44 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.796 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -50.44 57.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -16.56 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -76.95 -43.15 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.701 ' HB3' HG23 ' A' ' 85' ' ' VAL . 9.0 m-85 -87.32 -17.11 33.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.3 p 55.13 53.05 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.701 HG23 ' HB3' ' A' ' 83' ' ' TYR . 61.7 t -94.17 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.551 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -90.34 164.34 27.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.5 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.2 Cg_endo -75.03 -33.96 4.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.5 0.86 15.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.479 ' HA ' HD23 ' A' ' 5' ' ' LEU . 81.4 m-20 -108.91 -28.74 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 47.3 mt -88.52 132.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.896 HG13 HD11 ' A' ' 93' ' ' ILE . 1.1 pt -134.64 118.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.911 ' C ' HD13 ' A' ' 93' ' ' ILE . 12.9 p -102.09 123.76 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.99 HD12 ' HB ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -98.53 141.86 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.907 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -157.34 178.55 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.487 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -108.91 145.41 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.1 t0 -155.81 153.98 30.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.929 HD22 HG21 ' A' ' 150' ' ' VAL . 1.0 OUTLIER -91.94 116.2 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 138' ' ' GLY . 29.3 t0 -118.62 -60.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 138' ' ' GLY . 6.6 mt -132.81 -105.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.78 176.66 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.4 ' O ' ' CD ' ' A' ' 161' ' ' GLU . 3.0 m-85 -91.64 70.31 5.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.0 40.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.696 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -132.85 164.82 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.819 ' CG2' HD11 ' A' ' 165' ' ' ILE . 1.8 pt -121.97 164.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.7 tpt180 -149.12 97.72 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.216 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.878 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.59 127.49 52.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -147.8 177.97 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.864 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -105.93 -83.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -65.3 -53.74 31.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -47.15 129.14 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.14 -163.44 37.15 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 51.0 80.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.69 49.83 0.86 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 106.72 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.83 129.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.589 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.471 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 59.1 m-80 -55.45 -42.78 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.01 -59.49 10.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 10' ' ' LEU . 11.5 mt -53.79 -46.37 71.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.535 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.65 -31.87 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 44.5 t -72.45 -27.74 62.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.897 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.82 -42.59 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -63.98 -43.54 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.404 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -73.04 -36.29 66.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.54 -47.15 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.924 HD11 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -82.21 -20.94 36.76 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.16 3.89 88.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 68.38 121.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 130' ' ' PHE . 3.3 tmtt? -141.13 13.99 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.864 ' O ' HD11 ' A' ' 108' ' ' ILE . 3.4 t70 83.82 19.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.713 ' CE1' HD22 ' A' ' 125' ' ' LEU . 80.6 m-85 -46.68 162.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.738 ' HG3' HD13 ' A' ' 108' ' ' ILE . 72.3 mt-30 -94.44 156.45 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.81 149.29 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.99 ' HB ' HD12 ' A' ' 93' ' ' ILE . 64.3 t -132.29 85.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -89.07 145.02 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.907 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.5 mp -96.15 149.91 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -94.17 94.53 1.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.81 HD11 HG22 ' A' ' 150' ' ' VAL . 1.4 pp -106.48 94.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.37 92.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' A' ' 152' ' ' GLU . 0.8 OUTLIER -76.16 -21.79 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.052 . . . . 0.0 110.957 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.929 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -82.22 -26.17 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.664 HD13 ' HE1' ' A' ' 17' ' ' TYR . 40.6 mt -103.3 50.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 28.2 mt-10 -77.39 -105.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.61 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.1 t30 157.07 51.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.809 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -69.29 29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.784 HG23 ' HG3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -20.14 -52.8 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.71 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.99 -70.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.5 1.789 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.809 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.87 -39.57 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 162' ' ' VAL . 8.8 mm-40 -74.35 -32.77 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.016 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.37 -44.22 88.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.699 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.73 -34.03 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 1.001 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.8 mm-40 -74.74 -37.05 62.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.643 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -54.24 -52.11 71.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.016 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -25.96 11.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.586 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -64.02 -59.81 4.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.001 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.82 -53.4 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.742 ' N ' HD13 ' A' ' 165' ' ' ILE . 61.6 m -44.76 -46.41 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 108.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.4 tt0 -62.06 -44.73 96.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.179 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.574 ' O ' HG11 ' A' ' 188' ' ' VAL . 0.5 OUTLIER -66.24 -47.95 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.53 77.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -62.17 -40.96 97.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 2.0 m-20 -68.11 -44.49 76.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.984 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.74 -41.38 86.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.8 m -63.98 -52.21 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -57.12 -48.25 79.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.7 -38.51 90.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 176' ' ' LEU . 5.0 tt -55.5 -44.51 76.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.761 HG23 ' HA ' ' A' ' 56' ' ' ALA . 84.7 mt -74.73 -26.08 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.99 -41.25 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.87 -72.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.443 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.59 176.38 35.51 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.566 1.166 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -87.7 -19.96 26.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 0.733 . . . . 0.0 110.994 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.549 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -45.51 -48.58 36.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.1 -39.09 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -63.23 -37.15 86.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.582 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.5 tt0 -72.92 -40.56 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.789 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 25.3 t-20 -78.57 -21.21 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.2 ttt-85 -95.62 -52.84 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.984 HG21 ' HB2' ' A' ' 172' ' ' ALA . 16.8 t -88.26 -59.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.582 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.0 t-80 -66.64 22.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.653 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.38 -33.47 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.679 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.444 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 164.75 32.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.508 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -130.8 139.24 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.571 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -109.33 144.63 37.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.952 ' HB ' HD22 ' A' ' 62' ' ' LEU . 24.3 t -131.53 144.55 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG11 ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.93 119.67 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.36 109.77 3.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.846 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -97.02 101.6 13.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.86 -144.09 7.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -132.49 122.42 17.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.453 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -74.99 -160.38 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -33.79 102.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB1' ' CD2' ' A' ' 17' ' ' TYR . . . -173.94 106.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -52.73 -22.84 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.857 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -81.71 -19.63 41.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.073 . . . . 0.0 110.956 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -52.47 -24.68 8.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -58.57 -12.03 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.217 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 17' ' ' TYR . 70.0 p -75.59 26.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.596 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.2 mtp180 69.03 -0.97 2.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.439 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -65.92 7.91 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 62.0 t30 -124.49 29.52 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.766 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -51.36 -43.37 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -50.33 -60.95 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 1.4 t80 -78.07 -20.54 52.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 0.787 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' ASN . 9.6 t -74.28 -38.78 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.578 HG23 HD12 ' A' ' 24' ' ' LEU . 2.3 t -78.24 -51.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.86 73.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 32.3 t0 -69.17 -49.38 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -51.39 -55.33 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.61 -53.42 54.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.78 -25.9 66.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -71.33 -34.81 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -92.29 -45.17 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -170.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -93.51 36.18 3.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.636 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -22.7 121.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -161.53 67.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 1.0 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 1.2 p90 -139.76 -157.81 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -156.38 -164.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -123.15 124.5 43.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.468 ' HB2' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.06 143.26 44.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -97.19 -58.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.8 ttt180 -37.8 -38.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 1.008 ' CB ' HD11 ' A' ' 79' ' ' LEU . 99.3 p -94.95 -49.34 5.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.89 66.2 0.96 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -172.02 164.8 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.7 mm-40 -71.31 144.51 49.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 19.3 m -140.84 109.49 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.0 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.87 111.12 18.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 126.45 31.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.05 124.04 5.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtm105 -140.89 95.27 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.9 -168.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.82 20.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 70.74 43.42 59.49 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HD2' ' CD1' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 176.39 154.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -80.49 -178.88 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 175.28 103.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 6' ' ' LEU . 25.2 t -99.01 110.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.952 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -97.79 106.34 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' C ' ' CD ' ' A' ' 64' ' ' LYS . . . -126.92 166.25 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.519 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 179.51 124.71 0.22 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -157.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.409 1.742 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 55.2 mmt-85 -79.14 -84.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.656 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -45.57 -20.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 62.26 -81.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.841 ' CA ' HD13 ' A' ' 10' ' ' LEU . 7.0 ttm -35.99 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.073 . . . . 0.0 111.058 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.661 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 52.7 m-20 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.656 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.2 OUTLIER -50.93 -44.86 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -65.86 -49.47 68.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.885 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -43.21 -52.3 6.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.93 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.47 -53.52 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.534 ' HB2' ' HG3' ' A' ' 65' ' ' PRO . 10.3 mm-40 -44.09 -48.92 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.51 -45.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.56 -68.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.93 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.97 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.008 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.72 -41.37 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.032 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.48 -48.0 68.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -17.61 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -74.79 -43.2 55.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.69 ' HB3' HG23 ' A' ' 85' ' ' VAL . 4.5 m-85 -79.62 -5.16 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.7 t 53.31 46.86 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' HB3' ' A' ' 83' ' ' TYR . 74.2 t -103.55 159.46 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -87.29 164.27 36.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.236 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.1 Cg_endo -75.11 -30.51 6.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.51 -4.93 12.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 6' ' ' LEU . 71.7 m-20 -111.49 -25.05 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 50.9 mt -90.67 133.27 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.803 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -135.64 140.7 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.242 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 132' ' ' ARG . 5.4 p -124.95 132.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.751 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -112.2 147.98 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.982 ' O ' HD12 ' A' ' 135' ' ' ILE . 9.4 t-160 -156.68 173.18 17.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.522 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -109.3 145.61 35.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.5 t0 -156.67 152.41 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.53 103.76 11.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -100.68 -76.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.454 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 3.6 mt -136.23 -80.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.3 mt-10 -92.0 166.91 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 5.1 t80 -96.21 99.43 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.46 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . 125.43 50.51 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.718 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -136.79 127.76 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.797 . . . . 0.0 110.36 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.79 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pt -92.06 153.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.3 ttt85 -144.04 111.61 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.69 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -106.49 143.15 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 ttmt -160.42 172.59 16.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.1 OUTLIER -131.45 -90.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.93 -22.51 6.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -39.75 -72.9 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 112.08 -175.6 17.32 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -88.39 91.87 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.55 -48.8 3.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.33 75.47 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.7 132.08 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -42.13 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.807 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.63 -60.36 8.89 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.571 1.169 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.42 -41.81 61.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.221 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.504 ' O ' HG12 ' A' ' 122' ' ' VAL . 4.3 ttt-85 -62.73 -34.49 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -74.39 -30.31 61.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.885 HG22 ' HA2' ' A' ' 73' ' ' GLY . 9.4 t -72.34 -41.92 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -68.07 -40.64 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.75 -36.81 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.31 -45.72 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 1.032 HD21 ' HB3' ' A' ' 80' ' ' ALA . 16.7 mt -84.79 -22.5 29.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 69.48 4.18 43.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.795 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -95.91 -151.28 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.412 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER 168.05 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -136.04 10.18 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.502 ' HE2' HG23 ' A' ' 122' ' ' VAL . 5.7 p90 -81.13 162.25 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 91' ' ' ILE . 46.9 mt-30 -88.88 156.55 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.236 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -142.82 150.09 39.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.751 ' HB ' HG22 ' A' ' 93' ' ' ILE . 49.0 t -133.72 86.38 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -90.26 144.84 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.384 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.982 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.9 mp -105.48 146.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.718 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -97.23 98.07 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.7 pp -107.99 84.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.07 -35.53 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.417 ' HA ' ' HG3' ' A' ' 152' ' ' GLU . 1.4 t80 -77.08 -32.29 56.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -68.29 -27.71 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.13 36.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.82 ' O ' HG22 ' A' ' 20' ' ' THR . 35.6 mt-10 -106.81 -119.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.629 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 59.4 t30 166.22 96.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.812 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -71.98 34.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.009 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.64 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -14.68 -55.42 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.442 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.729 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.0 -75.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.812 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -44.9 -34.42 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.76 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -78.59 -32.47 47.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 110.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.974 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.58 -47.63 81.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.717 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.72 -34.51 52.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 1.031 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.5 tp10 -76.09 -37.57 58.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.76 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.3 t -52.15 -50.81 76.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.163 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.974 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.02 -28.13 9.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 13.6 m -64.64 -59.36 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.031 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.02 -54.66 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.756 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.7 m -45.46 -47.7 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -59.19 -45.32 91.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.484 ' O ' ' CG1' ' A' ' 188' ' ' VAL . 0.4 OUTLIER -65.8 -46.3 79.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.766 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -67.8 -38.38 83.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.82 -44.86 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 5.3 m-20 -67.22 -43.58 81.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.024 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.89 -39.45 81.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.1 m -63.78 -53.66 47.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.67 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.54 -35.79 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.67 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.72 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.83 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.2 tt -54.72 -39.92 68.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.412 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 8.2 mt -75.98 -34.16 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.499 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.3 OUTLIER -54.56 -63.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -128.97 -71.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.1 -179.51 27.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.169 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.576 ' HB2' HD21 ' A' ' 106' ' ' LEU . 2.5 ptp -92.41 -16.51 25.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.7 mp0 -51.32 -44.37 88.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.05 -38.33 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.86 -33.79 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.56 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.03 -41.47 64.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.581 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 19.5 t30 -78.25 -20.32 51.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.87 -52.24 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.024 HG21 ' HB2' ' A' ' 172' ' ' ALA . 19.1 t -88.6 -58.58 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.56 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.7 t-80 -67.54 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.679 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -120.54 57.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.479 1.112 . . . . 0.0 108.02 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.01 161.77 38.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.81 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.498 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -127.06 138.37 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 7' ' ' VAL . 3.6 tt -105.65 148.27 27.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.857 HG13 ' CG1' ' A' ' 91' ' ' ILE . 14.1 t -131.99 142.93 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.838 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.19 122.15 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.97 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.582 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -84.32 101.91 12.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.15 -160.41 11.8 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 26.2 t-20 -138.3 120.57 10.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.0 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 43.07 -155.82 0.14 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 81.96 147.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.25 -10.08 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.938 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -84.72 -22.82 29.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -61.33 -34.63 75.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 21' ' ' ARG . 1.3 tpt180 -63.4 -22.22 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.938 HG22 ' O ' ' A' ' 17' ' ' TYR . 1.6 t -78.41 20.35 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.66 ' HE ' HG21 ' A' ' 162' ' ' VAL . 0.1 OUTLIER 70.64 14.38 7.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.592 ' HB2' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER -65.07 7.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 21' ' ' ARG . 9.1 t-20 -117.82 18.8 13.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.935 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -44.71 -42.55 7.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.21 -58.7 10.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.6 t80 -78.21 -21.55 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.8 t -73.82 -38.79 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.679 HG23 HD12 ' A' ' 24' ' ' LEU . 2.5 t -76.64 -53.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.018 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -56.94 -37.11 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 34' ' ' ALA . 8.3 t70 -68.7 -47.1 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -48.88 -56.69 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.8 mt -56.48 -52.38 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.759 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -60.48 -21.74 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -77.41 -36.16 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -42.79 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -84.5 15.31 3.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 67.97 -57.18 0.39 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.759 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 72.37 144.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 81.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 1.022 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -141.57 -153.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -162.14 -162.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.15 152.55 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -97.54 112.89 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.02 -59.56 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -38.15 -32.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 79' ' ' LEU . 1.1 p -94.84 -47.54 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.05 52.61 1.6 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -168.05 168.23 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 24.6 tp10 -82.99 151.39 25.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 4.2 m -143.56 115.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.022 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -117.77 111.46 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.22 126.77 31.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.82 129.07 5.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -140.11 98.75 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.806 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -167.61 -161.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 44.4 25.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 64.71 47.93 78.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.22 155.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.332 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 174.86 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -177.29 105.23 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' VAL . 2.7 t -98.87 109.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.018 ' CD1' ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -98.38 108.35 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -126.66 171.7 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.688 ' HE2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.19 127.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.667 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.499 ' C ' ' N ' ' A' ' 68' ' ' TYR . 32.6 mmt180 -84.39 -85.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.578 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -45.83 -21.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.745 ' O ' ' N ' ' A' ' 72' ' ' SER . 14.9 m-85 62.27 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.506 ' HG2' ' CA ' ' A' ' 117' ' ' GLY . 57.2 ttm -35.11 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.486 ' N ' ' HG2' ' A' ' 69' ' ' MET . 27.6 t-20 -63.99 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.379 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 1.6 mm-40 -56.8 -45.05 82.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 68' ' ' TYR . 31.7 t -67.02 -55.12 15.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.917 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.05 -54.77 3.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.962 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.73 -47.74 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.74 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.3 mm-40 -48.69 -47.72 40.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.777 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.34 -47.2 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.48 -67.06 0.1 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.453 1.096 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.962 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.47 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.41 -40.0 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.777 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.18 -50.36 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -15.76 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.689 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -77.43 -40.23 44.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.762 ' HB3' HG23 ' A' ' 85' ' ' VAL . 4.1 m-85 -79.34 -8.19 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 p 52.22 46.38 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.762 HG23 ' HB3' ' A' ' 83' ' ' TYR . 89.4 t -103.75 170.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.596 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -79.9 154.04 75.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 131' ' ' GLN . . . -77.46 0.86 21.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 6' ' ' LEU . 60.9 m-20 -99.69 -18.62 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 13.5 mt -89.22 137.27 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.857 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -137.32 118.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.838 HG22 ' CG2' ' A' ' 8' ' ' VAL . 27.5 t -103.1 131.09 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.049 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -108.58 143.09 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 1.034 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -158.28 177.78 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.38 143.89 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.705 ' O ' HD13 ' A' ' 137' ' ' ILE . 6.1 t0 -149.01 151.19 34.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.67 114.59 23.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -110.85 -84.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 -68.42 0.47 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.218 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.53 163.97 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -93.78 25.28 3.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -155.66 51.29 0.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.4 tmm_? -134.72 158.19 44.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.792 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.4 pp -122.45 156.98 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.0 ttm180 -142.15 103.09 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.823 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -109.17 132.05 54.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -147.49 179.08 7.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -109.58 -54.27 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.19 20.3 21.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -35.54 -58.57 0.88 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.11 137.83 4.15 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -44.92 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.406 ' N ' ' OE1' ' A' ' 112' ' ' GLU . . . 77.41 97.66 0.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 39.44 -148.21 0.15 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.419 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 14.0 m170 64.6 110.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.64 -36.79 77.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.506 ' CA ' ' HG2' ' A' ' 69' ' ' MET . . . -61.86 -61.0 7.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 121' ' ' VAL . 11.8 mt -50.39 -42.17 53.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.515 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.2 ttm105 -66.12 -33.24 75.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -74.57 -27.29 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.917 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.96 -43.17 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.64 -44.64 89.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.428 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.81 -37.84 76.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.72 -46.67 71.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 130' ' ' PHE . 16.0 mt -79.91 -20.79 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.06 5.33 84.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.87 131.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.727 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -169.76 32.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 7.0 m-20 60.25 96.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.794 ' CE2' HD13 ' A' ' 125' ' ' LEU . 59.7 m-85 -123.61 162.42 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.549 ' HB2' HG22 ' A' ' 91' ' ' ILE . 20.2 mt-30 -92.45 152.98 19.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -142.08 148.97 39.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 1.049 ' HB ' HG22 ' A' ' 93' ' ' ILE . 3.2 t -134.25 81.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.52 145.99 24.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.034 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.1 mp -94.66 149.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.2 85.8 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.137 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.714 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -108.07 94.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.55 83.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -30.43 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -65.72 -39.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.77 HD22 ' CE1' ' A' ' 17' ' ' TYR . 44.5 mt -90.09 39.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.498 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 2.1 tt0 -93.07 -115.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.602 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -175.32 54.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.203 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.775 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.1 OUTLIER -69.27 26.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.602 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -24.4 -51.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.678 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.95 -69.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.775 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.07 -44.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.653 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.38 -29.69 62.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -57.21 -44.91 84.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.66 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.68 -33.56 41.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.607 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.8 mm-40 -74.58 -35.59 63.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.66 HG21 ' HE ' ' A' ' 21' ' ' ARG . 1.3 t -57.13 -53.67 62.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.88 -22.23 15.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.585 1.834 . . . . 0.0 111.066 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.607 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.2 m -62.65 -59.35 5.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.716 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -74.79 -44.19 45.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.716 ' N ' HD13 ' A' ' 165' ' ' ILE . 32.2 m -48.95 -50.44 35.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.9 tt0 -63.75 -48.58 76.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -43.14 99.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.792 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -73.01 -33.25 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -49.81 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -69.74 -40.99 75.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.064 ' HB1' HG12 ' A' ' 188' ' ' VAL . . . -64.43 -35.85 82.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 169' ' ' ALA . 22.8 m -65.64 -51.13 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.0 OUTLIER -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -66.21 -41.06 90.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.708 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.9 tt -54.0 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 56' ' ' ALA . 17.9 mt -79.49 -18.01 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -62.6 -58.86 6.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -72.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.95 -168.68 20.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.74 -17.69 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -49.77 -47.62 79.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.03 -37.29 2.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.869 ' O ' HG13 ' A' ' 188' ' ' VAL . . . -67.07 -44.77 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 1.008 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 51.4 t30 -83.79 -20.29 33.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.84 -57.28 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.064 HG12 ' HB1' ' A' ' 172' ' ' ALA . 0.8 OUTLIER -71.06 -50.6 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.61 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.09 15.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 1.008 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -94.38 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.518 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 161.51 38.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -132.26 135.93 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -120.23 138.32 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.855 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -126.89 143.26 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.781 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -137.35 119.21 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.65 108.92 3.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.081 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.13 109.94 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -128.88 -139.48 4.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' HIS . 18.6 t-20 -135.31 125.85 17.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 41.65 -149.37 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.83 131.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -65.2 -9.77 26.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.657 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.9 OUTLIER -68.61 -16.92 64.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.38 64.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.472 ' C ' ' H ' ' A' ' 21' ' ' ARG . 21.4 mmt180 -50.26 -26.94 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 19.6 p -76.34 16.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.772 ' HG3' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 76.17 12.4 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -64.06 6.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.617 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.0 t-20 -118.74 17.75 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.396 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.772 HD22 ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -40.77 -55.22 2.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.628 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -40.74 -60.2 2.19 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.417 1.073 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 3.5 t80 -75.02 -29.78 60.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -61.59 -42.95 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.581 HG22 ' SG ' ' A' ' 166' ' ' CYS . 2.4 t -77.46 -38.27 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.791 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.99 -45.24 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.2 m-20 -66.32 -44.46 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -49.52 -58.08 5.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -50.05 73.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.657 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.71 -26.52 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -70.85 -39.69 72.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -44.26 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 HD12 ' H ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -68.66 -168.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.653 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -95.14 33.81 5.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -17.22 120.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -163.82 74.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 1.042 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -140.76 -155.93 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -155.94 -164.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -125.05 125.1 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.689 ' CD2' HG21 ' A' ' 50' ' ' VAL . 1.4 m170 -57.1 109.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.49 -55.96 10.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -48.18 -51.09 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.858 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -69.6 -48.77 58.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 110.059 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.44 55.23 1.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -169.95 165.47 9.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 7.0 tp10 -76.55 149.9 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.689 HG21 ' CD2' ' A' ' 43' ' ' HIS . 4.7 m -147.19 112.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.042 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.27 107.98 14.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.708 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.2 125.9 44.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.53 -160.95 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -141.0 109.5 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.504 ' N ' HD23 ' A' ' 60' ' ' LEU . 4.8 m -149.32 177.41 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 1.072 ' CB ' HG21 ' A' ' 177' ' ' ILE . . . 53.79 18.48 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.28 41.21 46.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HB3' HD12 ' A' ' 5' ' ' LEU . 1.2 tpm_? 175.27 158.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 p -55.41 151.08 10.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 55' ' ' SER . 1.6 pp -140.74 122.39 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.708 HG22 HG22 ' A' ' 52' ' ' THR . 24.4 t -100.52 99.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.791 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.4 tm? -96.87 105.79 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -120.26 177.27 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HE2' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 175.06 117.62 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.706 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 -157.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 61.1 mmt-85 -79.68 -84.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.589 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.58 -18.34 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 108.318 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 23.3 m-85 61.43 -82.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -40.47 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.668 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.5 m-20 -68.04 -47.21 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.61 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 3.0 tp10 -48.46 -43.24 34.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 47.3 t -64.79 -55.19 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.861 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -38.83 -52.14 2.54 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.963 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.88 -54.01 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.268 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.61 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.3 mm100 -44.48 -48.35 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.851 ' CG2' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -68.48 -46.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.77 -66.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.963 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.06 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.858 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.99 -41.32 67.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.916 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.43 -50.0 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.97 -16.85 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.69 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -76.22 -38.61 56.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.19 -2.08 39.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 51.33 45.93 27.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.762 HG22 HD21 ' A' ' 89' ' ' ASN . 0.5 OUTLIER -127.17 163.3 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.452 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -88.86 155.84 49.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.7 Cg_endo -74.98 -6.07 17.6 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -15.93 62.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.762 HD21 HG22 ' A' ' 85' ' ' VAL . 8.7 p30 -105.17 -16.33 14.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.564 HG12 HD22 ' A' ' 6' ' ' LEU . 12.6 mt -85.98 132.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.855 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.69 120.67 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.781 HG22 ' CG2' ' A' ' 8' ' ' VAL . 58.3 t -103.03 131.68 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.912 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -111.97 145.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.902 ' O ' HD12 ' A' ' 135' ' ' ILE . 7.5 t-160 -151.53 177.13 10.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.458 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -99.94 140.12 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.247 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 135' ' ' ILE . 6.3 t0 -149.98 169.69 20.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.6 OUTLIER -107.37 100.99 10.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' CG ' HD12 ' A' ' 99' ' ' LEU . 31.6 t0 -92.98 -72.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.594 HD12 ' CG ' ' A' ' 98' ' ' ASP . 3.6 mp -131.59 -90.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 138' ' ' GLY . 30.5 mp0 -88.78 173.47 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -87.2 55.61 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 176.92 48.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.713 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -134.53 160.79 36.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.249 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.845 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.5 pp -122.63 162.93 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.19 105.36 3.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.824 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.77 131.27 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 132' ' ' ARG . 4.8 tppt? -154.12 164.92 37.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.721 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.3 tp -95.11 -86.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.721 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -64.27 -39.71 97.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 40.3 -153.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -135.86 38.08 1.82 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.429 ' OE1' ' NH2' ' A' ' 119' ' ' ARG . 1.2 mt-10 58.02 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 114' ' ' GLY . . . -65.68 -61.04 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' ND1' ' A' ' 115' ' ' HIS . . . -52.74 -105.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.441 ' NE2' ' CE ' ' A' ' 69' ' ' MET . 2.1 p-80 178.29 -106.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' SER . 0.4 OUTLIER -65.61 -38.35 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.14 -64.11 4.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.752 ' O ' HG12 ' A' ' 121' ' ' VAL . 1.9 mt -52.81 -50.39 63.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.429 ' NH2' ' OE1' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -59.18 -33.22 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 116' ' ' ASN . 33.1 t -70.09 -29.67 66.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.861 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.76 -41.89 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 118' ' ' LEU . 16.5 t -68.28 -32.87 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.06 56.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -67.2 -44.88 78.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.916 HD21 ' CB ' ' A' ' 80' ' ' ALA . 2.7 mt -79.83 -21.02 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.37 3.31 82.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 76.17 129.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.423 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.53 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 2.0 tppt? -171.61 33.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.1 m-20 81.25 101.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -131.51 152.75 50.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.415 ' HB2' HG22 ' A' ' 91' ' ' ILE . 61.2 mt-30 -100.95 156.14 17.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.058 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -143.23 150.06 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.912 ' HB ' HG22 ' A' ' 93' ' ' ILE . 19.7 t -138.3 87.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.8 mtp180 -91.52 144.18 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.902 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.6 mp -99.3 150.26 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 98' ' ' ASP . . . -107.88 95.98 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -107.78 71.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.76 -39.54 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -25.4 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -77.59 -27.91 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.657 HD13 ' HE1' ' A' ' 17' ' ' TYR . 52.7 mt -100.18 45.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 14.2 mt-10 -78.54 -100.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.596 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 12.5 t30 154.05 47.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.821 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -71.43 28.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.42 -52.88 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.685 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -75.0 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.821 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.26 -39.96 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.664 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.1 mt-10 -74.96 -31.35 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -58.69 -44.79 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.705 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.47 -34.78 54.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.2 mm-40 -75.19 -37.02 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.714 HG21 ' NE ' ' A' ' 21' ' ' ARG . 1.8 t -53.32 -51.8 72.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.1 Cg_endo -75.07 -27.42 9.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.575 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.6 m -60.15 -58.11 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.9 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -71.98 -46.31 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.9 ' N ' HD13 ' A' ' 165' ' ' ILE . 34.9 m -51.3 -48.99 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -61.01 -45.55 94.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.582 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 3.6 mt-30 -67.51 -41.59 84.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 1.184 . . . . 0.0 110.253 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.73 -31.06 64.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -63.2 -49.19 75.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 4.5 m-20 -70.69 -41.89 71.4 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.949 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -65.24 -37.98 88.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.1 m -63.74 -49.76 71.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.529 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.7 pt-20 -56.41 -48.41 77.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.529 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.7 tp -65.9 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.564 ' O ' HD23 ' A' ' 176' ' ' LEU . 0.2 OUTLIER -53.58 -52.02 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 1.072 HG21 ' CB ' ' A' ' 56' ' ' ALA . 2.4 mt -77.99 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.427 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 6.8 tm-20 -66.63 -32.75 74.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -116.54 -71.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 176' ' ' LEU . . . -177.38 -52.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 163.5 -23.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -50.28 -47.0 83.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 17.9 Cg_endo -75.1 -37.29 2.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.557 1.819 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.803 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.6 -43.56 80.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 5.2 tt0 -67.49 -36.98 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 1.028 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 61.4 t30 -81.85 -23.3 36.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 0.2 OUTLIER -100.99 -57.75 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.949 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.46 -47.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.593 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.33 12.49 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.537 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 1.028 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -86.91 -69.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.582 ' CH2' ' HB3' ' A' ' 168' ' ' GLN . 1.6 p90 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.444 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.99 179.47 6.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -127.45 167.81 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.583 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -126.59 138.34 53.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.905 HG13 ' CG1' ' A' ' 91' ' ' ILE . 6.8 t -127.86 142.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.923 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.02 120.9 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.498 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -93.57 109.98 3.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.673 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.57 107.25 19.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.77 -146.57 5.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.557 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 21.3 t-20 -136.17 128.47 17.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.97 -170.51 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.643 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -34.6 120.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 166.98 143.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.14 -7.84 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 1.013 ' CD2' HD11 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -82.79 -18.48 40.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.3 72.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.511 ' C ' ' H ' ' A' ' 21' ' ' ARG . 22.1 mmt180 -55.89 -30.38 61.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 1.097 HG21 HD13 ' A' ' 151' ' ' LEU . 17.0 p -76.16 28.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.563 ' C ' ' H ' ' A' ' 23' ' ' ASN . 32.3 mmt-85 64.54 12.56 7.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.557 ' CG ' ' HB2' ' A' ' 12' ' ' ASN . 18.9 t-160 -68.52 11.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.662 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 t-20 -132.92 38.68 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.958 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -61.01 -45.32 95.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.99 -52.47 35.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.3 t80 -78.09 -26.15 47.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 23' ' ' ASN . 5.8 t -72.85 -39.47 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.663 ' CG2' HD12 ' A' ' 24' ' ' LEU . 40.9 t -76.9 -37.55 27.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -64.58 -47.4 78.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 m-20 -65.8 -41.81 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.54 -57.55 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 10.6 mt -57.86 -36.35 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -78.75 -14.62 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -88.95 -25.06 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -42.28 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.39 18.98 2.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.66 30.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -50.1 172.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.81 52.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.659 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.91 -164.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -151.97 -166.17 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.28 123.89 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.59 161.11 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 109.541 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -70.12 -164.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.5 ttp-105 36.86 -146.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.679 ' CB ' HD21 ' A' ' 79' ' ' LEU . 33.5 p -71.98 52.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -118.72 -55.08 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.172 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.3 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -72.72 142.92 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 27.8 m -147.29 117.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.659 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -119.12 113.66 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 125.52 29.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -120.29 99.62 0.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.118 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -111.91 130.84 55.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER 157.56 -171.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 44.09 31.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.27 47.4 91.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER 175.5 152.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 2.2 t -108.87 169.51 8.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.177 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.4 117.03 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.0 t -89.01 99.86 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.995 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -95.39 107.13 19.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.562 1.163 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 49' ' ' GLU . . . -126.86 170.85 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.45 130.06 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.704 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.99 -154.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 6.0 mmt180 -86.63 -86.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -43.7 -23.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.858 ' O ' ' N ' ' A' ' 72' ' ' SER . 18.8 m-85 63.15 -80.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.63 ' HA ' HD13 ' A' ' 10' ' ' LEU . 54.4 ttm -27.27 -92.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 69' ' ' MET . 4.6 m-20 -71.67 -33.25 68.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.9 mt-10 -60.36 -33.1 71.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.858 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -79.82 -47.55 15.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -53.16 -47.08 61.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.01 -46.98 21.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.5 tp-100 -45.7 -50.74 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.842 HG22 ' HB2' ' A' ' 80' ' ' ALA . 4.9 mt -68.85 -46.38 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.32 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.08 -45.56 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.679 HD21 ' CB ' ' A' ' 46' ' ' SER . 8.8 mt -54.95 -40.42 69.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 76' ' ' ILE . . . -67.71 -47.66 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.32 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.2 t80 -76.18 -44.41 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.463 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 19.7 m-85 -86.37 -12.84 48.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 t 56.91 53.16 8.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.701 HG12 ' OD1' ' A' ' 89' ' ' ASN . 1.2 t -100.08 157.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.601 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -84.2 153.63 62.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.607 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.9 -6.3 17.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.722 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -109.84 -14.1 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 131' ' ' GLN . 3.2 mm -85.08 123.07 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.905 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -136.67 117.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.923 HG22 ' CG2' ' A' ' 8' ' ' VAL . 33.4 t -106.08 126.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.381 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.611 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 1.2 tt -105.88 144.59 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.993 ' O ' HD12 ' A' ' 135' ' ' ILE . 10.5 t-160 -156.49 179.05 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.548 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -103.34 145.28 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -159.19 154.27 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.916 HD11 ' CG2' ' A' ' 150' ' ' VAL . 1.9 mp -85.54 103.82 14.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -102.57 -72.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.37 -85.49 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.6 mt-10 -86.16 167.94 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -89.17 31.7 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -163.33 53.21 0.3 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 136' ' ' GLY . 3.7 mmm-85 -138.21 160.57 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pp -118.51 161.61 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.11 111.55 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.837 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -111.26 131.93 54.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -147.77 170.45 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.79 HD13 ' HG3' ' A' ' 131' ' ' GLN . 0.3 OUTLIER -132.21 -86.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.608 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -47.73 -31.05 7.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.93 -46.97 1.26 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.63 -172.78 54.61 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -75.45 100.66 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.62 -61.21 4.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -171.0 84.38 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 95' ' ' ASP . 2.6 m170 -151.91 133.62 14.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -60.53 -42.96 97.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.49 ' HA3' HD22 ' A' ' 10' ' ' LEU . . . -64.43 -59.03 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 122' ' ' VAL . 10.9 mt -52.32 -45.31 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -60.7 -37.01 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -31.8 69.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.657 HG13 HD12 ' A' ' 125' ' ' LEU . 2.6 t -68.74 -44.27 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 118' ' ' LEU . 11.4 t -73.12 -26.65 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.47 64.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -86.52 -45.79 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.946 HD13 ' CE1' ' A' ' 130' ' ' PHE . 22.7 mt -78.75 -22.42 46.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.22 8.09 82.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.543 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 83.8 119.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.705 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 18.5 tptt -139.29 8.54 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.729 ' O ' HD11 ' A' ' 108' ' ' ILE . 15.2 m-20 85.74 16.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.946 ' CE1' HD13 ' A' ' 125' ' ' LEU . 67.3 m-85 -49.44 152.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.79 ' HG3' HD13 ' A' ' 108' ' ' ILE . 17.9 mt-30 -88.51 157.3 18.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.57 148.99 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.6 t -133.08 85.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -86.08 141.86 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 94' ' ' HIS . 1.4 mp -96.78 141.11 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -87.38 99.1 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.408 1.067 . . . . 0.0 110.986 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.5 pp -106.16 79.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.954 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.78 90.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.407 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 3.6 t80 -75.16 -20.91 59.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.916 ' CG2' HD11 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -79.71 -31.29 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 1.097 HD13 HG21 ' A' ' 20' ' ' THR . 0.4 OUTLIER -104.91 32.84 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.704 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 mm-40 -59.16 -101.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.704 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 14.4 t-20 136.43 46.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.789 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -71.48 28.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.614 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.6 OUTLIER -18.96 -52.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.748 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -75.07 -73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.789 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.07 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.9 OUTLIER -73.52 -34.37 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 110.274 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.5 -42.25 87.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.746 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.11 -33.0 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.996 ' O ' HG22 ' A' ' 165' ' ' ILE . 2.0 tp10 -75.57 -38.11 59.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.543 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -53.53 -49.98 85.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.5 Cg_endo -74.99 -28.64 9.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.55 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -62.54 -56.12 20.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.996 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.21 -53.31 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.725 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -46.89 -48.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 0.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -61.03 -46.23 91.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.378 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 191' ' ' TRP . 1.4 tt0 -65.88 -45.97 80.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -70.83 -31.02 67.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 13.1 m-20 -68.59 -40.19 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.016 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -65.78 -36.24 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.8 m -64.37 -50.86 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -56.79 -47.02 81.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.241 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -66.21 -36.67 83.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.688 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.0 tt -52.81 -52.73 55.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 60.1 mt -74.58 -23.12 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -70.58 -30.18 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -114.71 -72.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 181' ' ' MET . . . 176.89 -46.0 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 160.26 -25.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 mt-10 -48.1 -50.23 56.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.633 ' HB2' HD23 ' A' ' 175' ' ' LEU . 18.4 Cg_endo -74.99 -36.21 2.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.801 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.16 -44.63 83.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.58 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.4 tt0 -66.67 -37.21 84.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.937 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 0.8 OUTLIER -81.67 -24.78 36.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.11 -58.13 2.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.016 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -63.84 -53.54 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -72.76 -17.21 61.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.937 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.29 96.13 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 168' ' ' GLN . 16.6 m95 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 108.061 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.03 168.42 24.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.2 mt -136.04 142.06 44.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -114.63 142.68 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.826 HG13 ' CG1' ' A' ' 91' ' ' ILE . 20.9 t -128.93 144.96 36.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.857 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.54 120.09 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.452 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -96.73 110.65 4.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -97.33 109.03 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -128.43 -144.74 5.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -135.76 125.3 16.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 127.31 10.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 44.18 -153.95 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 68.63 137.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.801 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -63.58 -12.38 32.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE1' HD13 ' A' ' 151' ' ' LEU . 0.3 OUTLIER -68.47 -17.47 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.036 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -31.67 69.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 21' ' ' ARG . 16.8 mmt85 -52.93 -36.57 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -74.32 36.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.567 ' C ' ' H ' ' A' ' 23' ' ' ASN . 20.5 mtt180 56.84 14.88 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -68.93 11.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.632 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.567 ' H ' ' C ' ' A' ' 21' ' ' ARG . 35.1 t30 -138.25 29.21 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.758 HD12 ' CB ' ' A' ' 95' ' ' ASP . 3.8 mt -50.68 -46.69 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.91 -54.61 11.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 25.5 t80 -79.32 -27.54 42.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 0.8 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.4 t -70.27 -40.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 93' ' ' ILE . 2.8 t -73.37 -52.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.976 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -53.05 -43.63 66.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.6 m-20 -66.17 -52.32 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.03 -54.26 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -56.05 -59.57 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.46 -14.6 30.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.616 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -87.76 -24.75 23.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.4 -40.87 7.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.044 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -74.39 -19.98 60.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 96.33 -35.86 4.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.556 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -28.25 146.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 93.92 2.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 1.164 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.27 -171.31 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -160.03 -164.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . . . -138.23 149.97 46.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.444 ' O ' ' O ' ' A' ' 44' ' ' LYS . 5.7 t-80 -129.37 112.18 13.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -38.49 158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 74.03 -149.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.481 ' C ' HD11 ' A' ' 79' ' ' LEU . 4.8 p -71.61 50.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.12 -57.59 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.931 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 52.02 -171.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.649 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 1.9 mt-10 -75.28 143.4 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.665 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.4 p -176.24 159.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.164 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -140.48 126.09 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.6 125.52 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.47 123.62 4.81 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.02 96.46 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 58' ' ' ARG . 51.7 p -176.75 -152.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 40.26 30.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 60.89 52.68 50.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 163.14 154.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.585 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -81.25 176.99 9.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.585 HD23 ' C ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -179.33 104.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.518 ' HB ' HD12 ' A' ' 6' ' ' LEU . 55.2 t -108.88 106.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.976 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -95.56 109.02 21.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -115.2 170.68 8.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.759 ' HZ1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 174.58 123.66 0.11 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.931 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.06 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.541 1.811 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 21.2 mmt180 -90.27 -87.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.589 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -47.51 -22.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 32.0 m-85 63.7 -79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.625 ' HA ' HD13 ' A' ' 10' ' ' LEU . 24.4 ttt -25.9 -98.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 69' ' ' MET . 8.6 m120 -68.59 -31.86 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.98 -35.4 76.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.9 t -75.81 -52.9 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -45.54 -49.34 11.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.98 -49.6 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.692 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 1.2 mm-40 -46.6 -48.94 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 27.0 mt -67.74 -44.24 85.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.5 -68.41 0.16 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.443 1.09 . . . . 0.0 110.977 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.03 -47.67 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.74 -40.32 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.752 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.78 -50.02 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -17.4 61.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.6 t80 -74.63 -44.77 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.473 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.8 m-85 -83.1 -11.05 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 56.03 51.85 11.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 2.0 t -97.29 168.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.412 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -91.05 156.5 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.604 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.2 Cg_endo -74.98 -34.94 3.46 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.12 -6.85 25.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.569 ' HA ' HD23 ' A' ' 5' ' ' LEU . 72.7 m-20 -104.82 -23.79 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 42.8 mt -88.22 134.73 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.826 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -137.64 118.88 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.857 HG22 ' CG2' ' A' ' 8' ' ' VAL . 98.5 t -103.7 124.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.615 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -107.03 144.11 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.844 ' O ' HD12 ' A' ' 135' ' ' ILE . 9.0 t-160 -154.74 -174.4 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.633 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.758 ' CB ' HD12 ' A' ' 24' ' ' LEU . 5.4 p-10 -106.19 140.5 39.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.635 ' O ' HD13 ' A' ' 137' ' ' ILE . 8.3 t0 -147.42 159.86 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.688 HD21 HG23 ' A' ' 150' ' ' VAL . 2.1 mp -98.74 104.8 16.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -102.5 -73.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.46 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 9.9 mt -135.11 -96.82 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 138' ' ' GLY . 11.2 mt-10 -88.63 172.07 9.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.58 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 1.5 m-85 -92.49 82.57 4.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 159.36 40.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.3 mmm-85 -136.64 157.78 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.993 HG23 HD11 ' A' ' 165' ' ' ILE . 1.4 pp -120.64 163.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.2 tpt180 -148.77 108.9 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.908 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -108.0 125.86 52.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.6 -179.54 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.812 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.1 OUTLIER -126.92 -85.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.55 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -84.66 -88.23 0.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.84 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 177.06 127.49 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' GLY . 2.6 mp0 -38.74 121.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.713 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.49 ' CA ' ' NH2' ' A' ' 134' ' ' ARG . . . -38.77 -67.98 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.57 43.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.635 ' ND1' HD11 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -118.82 138.33 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.515 ' CB ' ' CE ' ' A' ' 69' ' ' MET . 1.3 m-20 -55.52 -33.5 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -53.46 -60.58 8.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.635 HD11 ' ND1' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.73 -42.68 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -61.82 -35.47 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' ASN . 0.3 OUTLIER -71.48 -32.23 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.815 HG13 HD12 ' A' ' 125' ' ' LEU . 2.4 t -67.74 -45.21 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 127' ' ' THR . 16.1 t -72.32 -27.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.05 -33.7 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -89.43 -45.59 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.815 HD12 HG13 ' A' ' 121' ' ' VAL . 31.0 mt -77.93 -22.28 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 127' ' ' THR . . . 74.61 2.29 63.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.63 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.6 OUTLIER 83.28 130.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.0 110.405 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.604 ' O ' ' CG ' ' A' ' 87' ' ' PRO . 8.3 tptt -152.11 17.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.812 ' O ' HD11 ' A' ' 108' ' ' ILE . 19.7 m-20 80.73 20.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.645 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 97.2 m-85 -53.59 157.2 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.791 ' HG3' HD13 ' A' ' 108' ' ' ILE . 80.1 mt-30 -95.52 158.54 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -144.28 149.27 36.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.615 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.9 t -131.51 87.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 1.6 mpp_? -89.33 145.54 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.844 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.8 mt -102.94 147.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -99.16 98.15 1.93 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.654 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.9 101.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.85 89.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.53 -22.99 56.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.688 HG23 HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -73.99 -36.15 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 17' ' ' TYR . 30.5 mt -88.31 46.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.682 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -72.2 -107.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.682 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 12.2 t-20 139.36 45.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.766 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -74.32 31.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.75 -52.7 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.724 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -74.98 -71.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.766 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -38.18 10.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.1 tt0 -75.47 -31.69 60.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.55 -43.32 93.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.716 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.02 -34.73 50.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 1.014 ' O ' HG22 ' A' ' 165' ' ' ILE . 8.6 mm-40 -76.0 -37.01 58.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.7 t -53.7 -50.85 81.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.793 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.563 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 6.4 m -63.61 -60.55 3.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.014 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.52 -54.09 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.7 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.1 m -46.61 -46.47 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -58.32 -45.45 88.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.645 ' CG ' HG13 ' A' ' 188' ' ' VAL . 1.7 tp60 -63.56 -49.06 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.93 -37.37 84.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.21 -45.67 75.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.47 -43.66 84.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.064 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -60.98 -36.9 80.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.7 m -65.01 -53.26 48.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.643 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -57.29 -35.21 69.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.643 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.37 -38.63 65.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.777 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -55.96 -42.83 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 56' ' ' ALA . 12.2 mt -78.85 -28.73 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -62.77 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -147.79 -71.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.39 -177.4 31.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.407 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 1.9 ptt? -90.9 -17.45 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.595 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -50.32 -46.3 83.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.253 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.95 -40.49 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -63.04 -39.2 94.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.557 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.886 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 20.8 t-20 -79.63 -20.23 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.4 ttt180 -96.67 -53.21 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.064 HG21 ' HB2' ' A' ' 172' ' ' ALA . 60.4 t -88.14 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.557 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 26.6 t-80 -69.8 22.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -97.93 -31.02 12.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.604 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.45 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 168.79 24.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.83 HD23 HD22 ' A' ' 89' ' ' ASN . 0.3 OUTLIER -118.65 136.4 53.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -108.11 139.87 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.894 HG13 ' CG1' ' A' ' 91' ' ' ILE . 2.7 t -122.46 142.96 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.627 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.18 118.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.37 109.24 3.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.709 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -96.57 112.46 24.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 0.754 . . . . 0.0 109.348 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -140.48 -147.42 4.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.616 ' ND2' ' CG ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -121.76 131.2 24.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.02 66.7 6.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 60.15 138.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.388 1.055 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 162.59 130.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -51.85 -26.32 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 151' ' ' LEU . 1.6 t80 -85.37 -20.07 30.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -73.41 -40.69 64.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -37.32 -45.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 36.8 p -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.599 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 150.01 -11.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.616 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 1.7 t-160 -53.62 -5.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.61 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.635 ' O ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -115.91 79.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.836 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -121.74 -52.41 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.517 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -41.92 -67.94 0.77 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CE1' ' NZ ' ' A' ' 64' ' ' LYS . 22.2 t80 -71.36 -26.14 62.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.786 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -64.8 -40.72 90.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.405 HG23 HD12 ' A' ' 24' ' ' LEU . 2.3 t -74.2 -52.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -58.18 -44.48 88.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 34' ' ' ALA . 46.2 t0 -62.71 -43.02 99.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.626 1.204 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.4 -59.68 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 7.2 mt -56.33 -34.71 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -76.34 -20.96 56.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -31.84 41.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -84.86 -43.79 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -18.56 48.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 94.74 -39.52 2.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.634 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . 60.21 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.372 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -139.27 14.69 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.995 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -58.05 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -158.1 -164.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.24 103.29 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -37.12 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -38.26 80.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.871 ' HB3' HD11 ' A' ' 79' ' ' LEU . 2.6 m -89.8 -43.03 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.12 54.93 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.62 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 179.46 174.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 0.713 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CD ' ' CE2' ' A' ' 40' ' ' PHE . 1.8 tt0 -87.06 149.74 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.697 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 15.4 m -139.34 119.33 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.995 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -127.06 112.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -92.12 160.54 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.498 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -153.2 -163.6 11.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 7.5 mtp180 -160.79 131.88 5.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 0.746 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 177' ' ' ILE . 1.4 m 170.95 -178.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.543 ' H ' HG23 ' A' ' 177' ' ' ILE . . . 52.28 20.14 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 73.08 42.42 43.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 mmt-85 175.84 154.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -67.44 170.3 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.498 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 2.4 pp -146.43 127.81 14.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.4 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 28.1 t -109.06 107.82 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 63' ' ' ALA . 1.2 tm? -101.57 120.91 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.614 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -125.23 161.83 26.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.652 ' NZ ' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -170.01 110.58 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.64 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.511 ' C ' ' N ' ' A' ' 68' ' ' TYR . 33.2 mmt180 -88.19 -86.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -44.08 -23.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.757 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.0 m-85 64.17 -80.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.458 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -36.0 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.55 -37.82 71.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -56.38 -40.11 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.757 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.8 t -70.37 -57.52 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.873 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.36 -52.66 3.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.993 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 0.753 . . . . 0.0 110.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.597 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 16.8 tp60 -45.1 -48.99 12.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.783 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -68.69 -46.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.22 -66.74 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.993 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.01 -46.73 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.449 1.763 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.871 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.53 -39.67 67.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.832 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.57 -50.99 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.48 -15.23 61.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.662 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.6 t80 -78.0 -43.8 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -81.57 -10.13 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 t 52.91 46.39 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.409 HG22 ' H ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -95.61 174.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.891 ' HB3' ' OD1' ' A' ' 89' ' ' ASN . . . -83.64 154.59 65.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.05 -30.2 7.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.36 3.79 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.891 ' OD1' ' HB3' ' A' ' 86' ' ' ALA . 13.0 m120 -104.31 -14.59 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mm -91.72 135.1 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.894 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -135.3 117.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.433 ' HA ' HG23 ' A' ' 8' ' ' VAL . 7.3 p -104.61 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.987 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.8 OUTLIER -104.13 145.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.769 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.6 t-160 -156.66 -178.88 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.563 ' OD1' HG21 ' A' ' 137' ' ' ILE . 5.7 t70 -103.25 146.13 28.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 135' ' ' ILE . 4.3 t0 -154.88 166.22 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.695 HD11 ' CG2' ' A' ' 150' ' ' VAL . 1.3 mp -100.77 106.67 18.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CB ' ' HA3' ' A' ' 136' ' ' GLY . 20.5 t0 -98.36 -73.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.429 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 4.1 mp -135.72 -94.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -88.0 169.45 11.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.404 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -84.09 96.61 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.655 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 135.47 44.97 0.1 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -133.35 158.04 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.883 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.4 pt -116.42 163.58 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.7 tpt180 -149.71 97.56 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.79 129.74 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.89 172.91 17.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.737 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.2 tp -97.49 -92.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.737 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -42.92 -78.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.31 -103.19 1.56 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -164.46 -61.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 3.5 tp10 84.56 -66.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.82 108.68 0.25 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 166.47 -87.52 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.417 ' CG ' ' CE ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -62.22 152.15 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.596 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.24 -62.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.47 -50.63 10.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 10' ' ' LEU . 11.1 mt -58.97 -43.58 91.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.536 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.6 ttt180 -66.16 -31.67 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 16.3 t -73.97 -28.42 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.873 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.66 -42.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER -67.45 -43.0 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.13 -35.99 69.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.47 -48.26 61.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.832 HD21 ' CB ' ' A' ' 80' ' ' ALA . 10.5 mt -81.73 -20.67 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 76.62 3.18 78.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.61 145.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 2.8 tmtt? 175.97 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 16.3 m-20 61.64 96.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.796 ' CE2' HD13 ' A' ' 125' ' ' LEU . 17.3 m-85 -124.9 171.93 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.551 ' CG ' HD12 ' A' ' 108' ' ' ILE . 73.2 mt-30 -107.14 154.06 21.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.46 ' CZ ' ' HD2' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -144.74 149.64 35.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.987 ' HB ' HG22 ' A' ' 93' ' ' ILE . 9.9 t -131.25 85.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 105' ' ' ARG . 4.0 mpp_? -89.02 146.44 24.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.836 HD13 ' HG ' ' A' ' 24' ' ' LEU . 3.0 mt -98.33 148.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.45 93.78 0.98 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.628 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.01 99.58 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.502 ' O ' HD22 ' A' ' 151' ' ' LEU . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.36 82.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 10.8 t80 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.695 ' CG2' HD11 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.22 -30.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.586 HD13 HG13 ' A' ' 150' ' ' VAL . 0.2 OUTLIER -96.17 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.7 mm-40 -72.83 -107.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.583 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 14.8 t30 151.75 46.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.791 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.94 28.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.14 -52.0 0.1 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.687 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.94 -67.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.791 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -42.14 34.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.9 mt-10 -72.59 -32.47 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.85 -42.99 90.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.735 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.21 -34.56 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.933 ' O ' HG22 ' A' ' 165' ' ' ILE . 12.3 mm-40 -75.83 -37.0 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -53.09 -50.44 82.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.94 -29.01 8.79 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.532 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.9 m -60.74 -59.46 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.933 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.73 -51.67 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.873 ' N ' HD13 ' A' ' 165' ' ' ILE . 52.1 m -46.92 -48.03 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 108.328 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.9 94.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.495 ' CG ' HG13 ' A' ' 188' ' ' VAL . 3.2 tp60 -64.45 -47.5 78.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.685 ' HB2' HD13 ' A' ' 104' ' ' ILE . . . -64.7 -35.63 81.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.95 93.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -68.0 -41.24 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.048 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.2 -41.08 87.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.0 m -65.18 -53.0 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.2 pt-20 -57.02 -47.72 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.98 -36.52 83.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.594 1.184 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.693 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.3 tt -56.3 -49.67 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.543 HG23 ' H ' ' A' ' 56' ' ' ALA . 15.0 mt -67.13 -30.87 50.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -57.48 -69.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -121.92 -71.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -154.11 -176.68 26.73 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.425 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 12.4 ptp -92.55 -13.95 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.401 0.707 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.1 mt-10 -53.18 -44.33 96.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.12 -39.16 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.537 1.809 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.647 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.42 -37.78 88.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.5 tt0 -72.27 -39.91 68.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.846 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 12.8 t30 -78.99 -20.08 50.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -97.91 -52.53 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.048 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.7 t -87.57 -57.02 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.575 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.5 t-80 -70.43 22.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.846 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -101.19 -36.08 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.655 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.1 p-90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.02 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -130.26 137.57 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -116.43 141.64 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.989 HG12 ' CG1' ' A' ' 91' ' ' ILE . 6.9 m -133.79 141.55 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.709 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.43 125.34 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.44 105.33 3.07 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -89.35 96.01 10.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.81 -152.46 8.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 22' ' ' HIS . 1.2 t30 -134.7 126.47 18.02 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 153.51 42.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.594 1.839 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 15' ' ' ALA . . . 75.73 126.52 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.627 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -58.68 -140.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 0.806 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 57.52 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.6 ' CE2' HD11 ' A' ' 151' ' ' LEU . 3.1 t80 -71.88 -19.17 61.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.45 -38.25 68.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -41.49 -30.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.632 HG21 HD12 ' A' ' 151' ' ' LEU . 23.9 p -76.52 25.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.83 ' NE ' HD21 ' A' ' 24' ' ' LEU . 0.9 OUTLIER 67.56 10.49 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -63.97 5.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.2 m-20 -121.23 29.84 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.851 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -52.52 -64.37 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.548 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -35.41 -61.02 0.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CE1' ' OE2' ' A' ' 49' ' ' GLU . 18.2 t80 -67.35 -33.58 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 23' ' ' ASN . 2.5 t -66.01 -42.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.639 HG23 HD12 ' A' ' 24' ' ' LEU . 2.6 t -69.02 -53.29 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.011 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.96 -47.1 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.3 t70 -60.4 -36.12 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -62.86 -62.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 7.1 mt -53.97 -26.52 26.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . . . -87.97 -23.83 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -91.85 -4.98 54.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -111.98 -41.68 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.932 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -82.76 -17.07 45.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.12 -0.3 78.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.6 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -31.1 147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.37 68.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.739 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -78.6 -167.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.27 -177.38 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -154.57 81.05 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.8 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.598 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.39 -173.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HB2' HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER 85.13 -26.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.972 ' CB ' HD11 ' A' ' 79' ' ' LEU . 1.6 t 165.15 -25.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 119.66 57.19 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.74 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 178.27 -170.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.61 ' OE1' ' CZ ' ' A' ' 40' ' ' PHE . 1.7 mt-10 -76.49 143.4 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 31.1 m -155.69 118.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -119.96 110.11 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.525 HG22 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -100.05 123.51 44.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.06 -162.54 10.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 2.2 mtt85 -152.18 131.41 12.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 0.77 . . . . 0.0 110.23 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 6.6 m -170.02 -173.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 1.017 ' CB ' HG21 ' A' ' 177' ' ' ILE . . . 44.59 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 66.66 43.88 90.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.0 154.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.479 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -56.57 169.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.92 117.58 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.529 ' HB ' HD12 ' A' ' 6' ' ' LEU . 41.4 t -106.65 98.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.011 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -99.58 104.94 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -126.64 175.98 7.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -179.03 123.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.74 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.01 -158.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.495 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.0 mmt180 -80.98 -84.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.61 -18.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.344 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.697 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.9 m-85 61.27 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 10' ' ' LEU . 66.6 ttp -40.93 -96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 69' ' ' MET . 1.1 t-20 -61.8 -31.58 71.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.552 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -58.92 -45.52 90.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.637 ' N ' ' O ' ' A' ' 68' ' ' TYR . 34.2 t -68.95 -36.0 77.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.543 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -55.83 -51.53 54.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 1.057 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -82.19 -36.3 27.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.674 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.0 mm-40 -61.02 -46.11 92.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.785 ' O ' ' N ' ' A' ' 80' ' ' ALA . 76.8 mt -71.08 -50.6 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.44 -62.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 1.057 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.972 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -56.15 -39.51 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.829 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.03 -49.04 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -74.84 -18.09 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.655 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -72.67 -45.46 58.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.631 ' HB3' HG23 ' A' ' 85' ' ' VAL . 14.2 m-85 -81.62 -9.13 59.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.8 t 55.61 50.21 14.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' HB3' ' A' ' 83' ' ' TYR . 21.8 t -103.47 167.71 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.742 ' HB3' ' OD1' ' A' ' 89' ' ' ASN . . . -84.62 155.42 62.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HB2' ' C ' ' A' ' 129' ' ' ASP . 18.3 Cg_endo -75.07 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.4 1.94 14.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.605 1.191 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.742 ' OD1' ' HB3' ' A' ' 86' ' ' ALA . 29.6 m120 -107.94 -24.8 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.442 HG12 HD22 ' A' ' 6' ' ' LEU . 22.9 mt -86.87 132.41 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.989 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -137.9 120.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 10' ' ' LEU . 9.5 p -105.1 131.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.589 HD13 HD11 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -106.26 151.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.862 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.8 t-160 -154.13 172.29 17.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.577 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.531 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -103.26 141.36 36.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -155.11 170.26 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -107.04 132.03 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -126.6 -67.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.419 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 mp -133.95 -97.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.73 178.01 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -92.77 71.99 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.441 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 168.81 41.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.633 ' HD3' ' CZ2' ' A' ' 191' ' ' TRP . 10.5 mmt85 -135.71 161.68 34.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.026 HG23 HD11 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -123.63 163.28 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.28 98.26 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.85 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -108.3 142.2 38.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 167.48 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.815 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -119.6 -82.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.489 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.93 -35.13 31.58 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -42.11 97.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.36 156.13 26.71 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -39.5 -59.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.68 -51.71 4.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.581 1.176 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.51 58.8 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -130.22 127.17 39.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.552 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.27 64.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.412 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -65.41 -58.15 10.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.813 HD13 ' HD3' ' A' ' 132' ' ' ARG . 13.7 mt -55.56 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 3.8 ttt-85 -59.97 -35.19 74.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.075 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.2 t -69.66 -30.38 68.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.535 HG13 HD12 ' A' ' 125' ' ' LEU . 2.7 t -71.96 -42.3 68.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 127' ' ' THR . 12.9 t -73.79 -28.96 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.43 62.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.407 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 80' ' ' ALA . 29.3 mt -78.09 -25.09 47.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 61.05 10.94 23.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.686 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -103.45 -154.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.607 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -176.69 62.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.468 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 1.8 m-20 -149.87 16.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.728 ' CE1' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -85.67 156.77 20.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -102.89 157.84 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.813 ' HD3' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -137.28 147.41 45.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 106' ' ' LEU . 3.8 t -135.51 84.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 9.3 mtp180 -86.31 160.38 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.862 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.1 mp -112.47 154.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -109.72 96.27 0.94 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.131 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.669 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -105.85 101.85 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.919 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.18 -39.15 81.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.443 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.4 t80 -75.78 -22.49 56.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.699 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -80.95 -26.7 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.699 HD22 HG12 ' A' ' 150' ' ' VAL . 1.0 OUTLIER -91.18 39.43 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.8 mm-40 -66.91 -105.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.637 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 12.1 t30 143.85 46.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.819 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.97 28.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -20.78 -52.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.472 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.708 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.91 -71.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.819 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.82 11.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.8 mt-10 -75.41 -30.66 60.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.97 -45.14 91.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.686 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.66 -34.48 53.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 1.041 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.1 mm-40 -75.38 -37.18 60.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.704 HG22 ' HE ' ' A' ' 21' ' ' ARG . 1.8 t -53.7 -52.16 69.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -26.76 10.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.617 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.3 m -64.69 -60.16 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.041 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.76 -54.36 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.762 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.7 m -45.99 -49.07 16.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -56.58 -47.31 79.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.524 ' HB3' HG13 ' A' ' 188' ' ' VAL . 19.8 mm-40 -61.44 -47.46 85.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.907 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.26 -40.55 94.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.61 70.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 44.8 m-20 -66.99 -44.79 79.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.055 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.53 -42.69 88.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.894 ' O ' HD12 ' A' ' 177' ' ' ILE . 92.1 m -61.88 -52.28 64.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.5 OUTLIER -59.67 -47.11 86.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.499 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.09 -42.72 88.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.71 ' C ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -49.22 -50.94 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 1.017 HG21 ' CB ' ' A' ' 56' ' ' ALA . 1.8 mt -76.22 -23.5 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.76 -31.94 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.223 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -158.57 -71.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.419 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -154.99 170.76 33.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.5 ptm -89.01 -18.81 26.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.79 -47.59 72.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -39.96 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.59 -37.0 85.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.533 ' HA ' ' CB ' ' A' ' 189' ' ' HIS . 1.2 tt0 -71.9 -41.17 68.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.757 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -78.89 -20.68 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -95.37 -52.39 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.055 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.9 t -89.77 -59.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.533 ' CB ' ' HA ' ' A' ' 185' ' ' GLN . 16.4 t-80 -66.8 23.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -107.58 -33.53 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.687 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 5.8 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 -172.94 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -136.26 140.84 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -112.62 142.09 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.9 HG12 HG12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -130.36 145.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -134.96 123.6 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -95.4 113.2 4.56 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 94' ' ' HIS . 4.8 mt -89.38 108.23 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 0.718 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 68' ' ' TYR . . . -117.54 -170.61 15.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -134.03 116.33 13.37 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.896 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 78.94 -148.87 32.17 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.459 1.1 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -112.11 -73.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -53.04 -42.13 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.502 ' CD1' ' CG ' ' A' ' 12' ' ' ASN . 1.4 m-85 -83.51 -16.28 46.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.896 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -48.6 -24.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.872 ' O ' ' N ' ' A' ' 21' ' ' ARG . 14.1 mmt85 -140.62 -98.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 19' ' ' ARG . 1.2 t 51.87 -57.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.872 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.4 ppt_? 168.71 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 21' ' ' ARG . 71.1 m80 -71.45 13.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.551 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 27' ' ' VAL . 64.0 t30 -110.88 16.65 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.955 HD13 ' CG ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -60.41 -42.62 96.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.63 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -46.56 -60.62 4.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.624 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 8.4 t80 -75.84 -26.83 57.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 23' ' ' ASN . 12.2 t -71.08 -40.61 75.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.3 t -70.73 -53.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.61 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -57.24 -32.74 66.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -67.65 -48.72 65.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.15 -56.6 13.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -56.53 -50.5 71.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.52 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -71.27 -38.97 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -84.51 -43.59 14.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -169.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.54 27.21 15.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -87.91 119.59 28.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -97.98 11.46 37.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.94 ' CD1' ' HB2' ' A' ' 51' ' ' ALA . 23.0 m-85 57.51 147.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -121.8 178.38 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -158.02 136.76 11.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.1 m80 -142.45 162.71 34.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' GLY . 3.7 ttmt -80.12 -178.99 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' A' ' 47' ' ' GLY . 0.9 OUTLIER 48.1 -126.62 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.968 ' O ' HD11 ' A' ' 79' ' ' LEU . 4.3 p -78.66 13.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -66.14 -72.26 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.899 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 59.25 -166.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -85.4 148.18 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -163.71 132.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.94 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . . . -123.53 122.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.41 161.77 24.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 1.14 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.55 ' HA3' HD21 ' A' ' 60' ' ' LEU . . . -153.4 117.51 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -111.89 103.53 11.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.545 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 179.87 -170.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.981 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 57.69 17.69 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.66 34.95 55.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 178.19 157.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -83.09 167.09 18.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.55 HD21 ' HA3' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -149.42 126.1 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 6' ' ' LEU . 69.9 t -105.73 110.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.3 tm? -104.26 125.31 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -127.21 166.89 16.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.226 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.69 110.7 0.19 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.899 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.0 -156.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.511 1.795 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.519 ' C ' ' N ' ' A' ' 68' ' ' TYR . 18.0 mmt180 -82.13 -84.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.643 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.25 -19.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.323 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 72' ' ' SER . 7.4 m-85 61.81 -81.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.698 ' HA ' HD22 ' A' ' 10' ' ' LEU . 47.6 ttm -35.23 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.606 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 1.4 m-20 -68.73 -39.85 80.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.643 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 2.0 tp10 -52.67 -38.34 60.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.719 ' HB3' HD21 ' A' ' 10' ' ' LEU . 21.8 t -74.42 -45.76 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.707 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -46.3 -50.22 13.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.967 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.37 -55.34 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.228 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.631 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 2.2 tt0 -39.42 -49.75 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.727 ' O ' ' N ' ' A' ' 80' ' ' ALA . 57.2 mt -67.12 -43.67 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.404 1.065 . . . . 0.0 109.199 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.94 -68.88 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.967 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.968 HD11 ' O ' ' A' ' 46' ' ' SER . 1.7 mt -51.97 -40.07 60.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.773 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.57 -50.24 59.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -16.62 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.72 ' N ' ' O ' ' A' ' 78' ' ' PRO . 8.2 t80 -75.77 -44.11 43.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -80.63 -13.85 58.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.3 t 52.85 46.45 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 86' ' ' ALA . 12.3 p -97.75 170.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.505 ' N ' HG22 ' A' ' 85' ' ' VAL . . . -82.73 157.76 66.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.739 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -31.44 6.25 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -71.33 -3.18 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 6' ' ' LEU . 66.6 m-20 -103.37 -29.25 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.556 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 mt -89.19 134.58 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.9 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -138.01 139.21 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.413 ' HA ' HG23 ' A' ' 8' ' ' VAL . 1.1 p -118.48 122.91 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.883 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.2 pt -100.96 141.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.822 ' CE1' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -154.41 166.23 33.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.587 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.955 ' CG ' HD13 ' A' ' 24' ' ' LEU . 39.7 t0 -109.42 140.25 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.568 ' O ' HG13 ' A' ' 137' ' ' ILE . 1.5 t70 -150.98 150.42 30.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.85 HD22 HG21 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -76.65 116.0 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 14.2 t0 -114.54 -83.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.402 1.064 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.436 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -134.16 -73.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' A' ' 102' ' ' GLY . 1.6 tm-20 -87.66 162.41 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.92 29.23 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 100' ' ' GLU . . . -160.59 48.25 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.94 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp85 -130.69 164.24 25.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.807 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.912 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pp -125.24 163.37 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.5 tpt85 -149.97 98.16 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.791 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.94 138.19 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 106' ' ' LEU . 14.2 mtpt -154.43 179.32 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.565 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -106.16 -56.38 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.565 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -100.73 -63.28 0.79 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.85 92.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.64 -46.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 28.7 tt0 -43.39 -60.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 38.1 -112.33 0.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.7 54.42 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 1.4 m80 -117.93 119.52 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -64.04 -52.92 57.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.455 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -51.1 -58.35 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 122' ' ' VAL . 6.0 mt -52.02 -45.24 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -45.82 89.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -61.37 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.667 HG22 ' HA2' ' A' ' 73' ' ' GLY . 11.0 t -68.9 -44.7 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 118' ' ' LEU . 12.9 t -68.61 -25.09 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.37 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -79.0 -42.15 27.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 1.041 HD13 ' CE2' ' A' ' 130' ' ' PHE . 21.9 mt -78.94 -22.49 45.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.18 9.39 67.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.411 1.07 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 82.15 111.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 87' ' ' PRO . 17.9 tptt -132.61 19.63 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.551 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 94.2 m-20 66.86 21.08 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.624 1.202 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 1.041 ' CE2' HD13 ' A' ' 125' ' ' LEU . 28.8 m-85 -51.46 169.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 29.6 mt-30 -95.57 155.66 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -141.81 148.48 38.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.883 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.4 t -136.21 82.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -88.91 142.92 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 103' ' ' ARG . 5.0 mp -98.89 148.41 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -103.65 105.92 2.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 1.02 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.7 pp -118.8 71.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.143 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.57 98.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.47 -23.58 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.85 HG21 HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -75.32 -36.25 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.893 ' O ' HD23 ' A' ' 151' ' ' LEU . 6.8 tt -114.14 35.78 4.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 9.6 tm-20 -66.87 -88.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.649 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.1 t30 152.49 50.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.685 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -66.93 25.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.649 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -25.03 -51.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.665 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.01 -67.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.685 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -43.94 38.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.71 -28.81 61.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.018 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.92 -45.39 86.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.684 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.46 -33.29 42.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.855 ' O ' HG22 ' A' ' 165' ' ' ILE . 7.9 tp10 -75.3 -36.5 61.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.175 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -56.06 -52.4 72.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.018 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.01 -25.23 12.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.596 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.5 m -61.67 -59.47 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.912 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -71.69 -50.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.817 ' N ' HD13 ' A' ' 165' ' ' ILE . 60.4 m -47.86 -46.55 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.266 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -62.96 -45.31 93.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.559 ' HG2' ' CH2' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -65.1 -46.68 80.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.829 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -70.7 -36.46 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -48.1 77.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 32.5 m-20 -67.55 -40.67 84.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.638 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -65.39 -36.08 82.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.2 m -64.16 -50.48 68.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.25 -48.01 79.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.61 -40.17 88.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.703 ' C ' HD23 ' A' ' 176' ' ' LEU . 2.9 tt -49.6 -50.02 44.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.9 mm -79.08 -21.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 11.5 tm-20 -59.04 -41.59 88.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -142.33 -71.33 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -153.99 175.82 32.11 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.82 -13.13 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.384 0.697 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.15 -47.78 65.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.05 -36.63 2.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.702 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.6 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -68.91 -39.04 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 1.019 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -81.9 -23.82 36.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 1.6 ttt180 -94.68 -55.48 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.702 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -73.97 -50.71 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.6 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.15 16.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.579 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 1.019 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -75.31 -47.31 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 188' ' ' VAL . 34.4 p90 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.95 176.47 9.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.14 139.27 44.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -109.05 144.58 36.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -129.41 141.29 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -135.0 122.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -88.62 105.29 3.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.588 1.18 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -86.6 100.27 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -119.76 -165.02 12.84 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 14' ' ' GLY . 1.6 m-80 -136.98 118.93 11.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.592 0.819 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' CG ' ' HA ' ' A' ' 67' ' ' CYS . 18.1 Cg_endo -75.08 14.81 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 17' ' ' TYR . . . -60.09 -141.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -156.17 -98.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -36.59 -66.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 1.007 ' O ' HG22 ' A' ' 20' ' ' THR . 1.2 p90 -68.66 -23.57 64.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.66 -25.84 66.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' H ' ' A' ' 21' ' ' ARG . 3.3 tpt180 -73.96 -25.28 59.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 1.007 HG22 ' O ' ' A' ' 17' ' ' TYR . 5.8 t -63.15 -3.2 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.68 ' CB ' ' O ' ' A' ' 20' ' ' THR . 10.3 tpp180 101.7 9.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 3.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.715 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.3 t-20 -121.49 37.99 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD23 ' HG3' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -52.37 -62.63 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.503 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -38.81 -62.79 1.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.8 t80 -65.5 -30.13 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 0.727 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.9 t -69.14 -42.35 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.895 HG11 HD13 ' A' ' 93' ' ' ILE . 4.1 p -79.69 -34.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -65.38 -45.05 85.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 19.8 t0 -70.76 -43.4 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -55.12 -53.24 58.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.45 -59.69 4.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -60.46 -18.2 49.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -83.04 -26.1 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -101.11 -42.83 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -22.37 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.9 -2.83 82.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -33.02 151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -133.58 39.45 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.786 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.58 -149.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.568 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.3 -163.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.96 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -135.79 120.16 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 10.8 t-160 -177.27 -121.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.675 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 64.53 140.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -37.76 -31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.793 ' CB ' HD11 ' A' ' 79' ' ' LEU . 10.9 p -63.16 -53.87 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 96.82 69.46 1.0 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.901 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -165.24 -176.73 4.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.96 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 34.4 tp10 -86.62 152.6 22.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.786 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 1.1 p -172.44 156.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.707 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -144.75 128.41 17.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 126.11 35.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -128.92 110.86 1.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 55' ' ' SER . 3.0 mtp180 -115.96 108.16 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.618 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER 164.99 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.614 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 68.37 6.84 5.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.66 19.3 35.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.618 ' O ' ' O ' ' A' ' 55' ' ' SER . 3.6 tpm_? -178.9 159.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -80.91 171.86 14.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.958 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -157.87 121.86 4.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.623 HG11 HD11 ' A' ' 6' ' ' LEU . 33.7 t -108.74 98.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -95.0 112.87 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -122.88 169.35 11.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.628 ' HZ1' ' HE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 175.21 115.48 0.11 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.901 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.05 -153.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.57 1.826 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.0 mmt180 -88.23 -86.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.1 -24.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 108.385 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.2 m-85 64.31 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' TYR . 35.4 ttm -27.25 -94.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.477 ' N ' ' HG2' ' A' ' 69' ' ' MET . 10.1 t-20 -68.42 -33.86 74.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.8 mt-10 -61.7 -28.81 69.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.6 t -80.82 -51.22 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.594 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -48.88 -49.59 28.53 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.973 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.5 -46.92 36.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 0.719 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.7 tm0? -45.09 -49.81 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.772 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 mt -68.01 -44.66 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.52 -68.11 0.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.973 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.0 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.793 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.51 -41.17 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 1.014 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.86 -50.16 63.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -18.17 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.674 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.2 t80 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -79.67 -7.71 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 56.48 53.02 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 158.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.18 157.47 62.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.794 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.95 -15.36 20.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.23 -8.45 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.637 ' O ' ' N ' ' A' ' 6' ' ' LEU . 76.9 m-20 -108.28 -22.49 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.672 HG12 HD22 ' A' ' 6' ' ' LEU . 7.7 mt -87.13 136.77 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.407 1.067 . . . . 0.0 109.215 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.838 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.57 141.4 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.6 p -119.12 136.59 55.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.895 HD13 HG11 ' A' ' 28' ' ' VAL . 4.3 tt -112.7 144.32 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.56 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -153.58 172.77 16.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.557 1.161 . . . . 0.0 109.65 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.545 ' OD1' ' C ' ' A' ' 95' ' ' ASP . 0.4 OUTLIER -96.27 143.02 27.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 6.1 t0 -150.26 160.03 44.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.766 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -104.2 108.98 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -99.47 -78.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.423 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -135.72 -87.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -88.94 172.44 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -92.08 99.26 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.08 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.541 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . 135.17 48.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.857 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -134.52 155.06 51.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.79 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.988 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.9 pp -121.98 155.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -144.87 106.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.781 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.66 139.78 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 7.5 mtpt -150.33 -179.41 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.666 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -134.48 -88.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.666 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -87.71 39.68 3.1 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.87 92.52 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.26 38.82 1.19 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 2.6 tt0 57.58 104.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.68 -62.47 1.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.18 54.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.69 142.63 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -56.43 -32.33 64.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.11 -59.02 11.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.493 HD22 HG11 ' A' ' 92' ' ' VAL . 6.7 mt -55.17 -49.8 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -58.04 -36.09 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 124' ' ' ALA . 7.4 t -72.35 -30.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.594 HG22 ' HA2' ' A' ' 73' ' ' GLY . 26.7 t -66.75 -45.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 127' ' ' THR . 28.4 t -74.11 -28.86 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.85 47.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.22 -47.5 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 1.014 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -84.1 -24.74 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 66.35 5.76 30.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.695 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -92.84 -157.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.442 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.461 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 9.2 tptt -169.89 74.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.543 ' HB2' ' HG2' ' A' ' 87' ' ' PRO . 0.5 OUTLIER -166.48 20.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.794 ' CD2' ' HB3' ' A' ' 87' ' ' PRO . 3.8 m-85 -80.71 158.09 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.62 ' OE1' HG22 ' A' ' 91' ' ' ILE . 58.5 mt-30 -101.17 156.56 17.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.483 ' HD3' HD13 ' A' ' 118' ' ' LEU . 6.5 mtt-85 -133.71 148.03 51.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.691 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.7 t -144.17 83.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.238 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.5 OUTLIER -91.99 142.21 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.857 HG23 ' O ' ' A' ' 103' ' ' ARG . 5.1 mp -99.27 149.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.25 100.04 1.77 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.2 pp -113.39 98.84 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.437 1.085 . . . . 0.0 111.08 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.94 99.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 8.0 t80 -75.52 -23.11 56.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.49 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.17 -31.46 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.589 ' HA ' HG21 ' A' ' 20' ' ' THR . 3.9 mt -97.49 42.93 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 14.2 mm-40 -74.55 -106.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.575 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 7.8 t-20 153.27 47.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.827 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.86 28.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.576 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.94 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.362 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.698 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -75.08 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.827 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.54 -41.31 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.675 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -75.16 -29.76 60.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.73 -44.58 90.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.371 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.712 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.93 -34.13 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.67 ' O ' HG22 ' A' ' 165' ' ' ILE . 5.6 mm-40 -75.62 -36.29 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.675 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -55.28 -51.36 80.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.97 -25.89 11.49 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -61.18 -61.21 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.999 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -70.3 -45.38 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.999 ' N ' HD13 ' A' ' 165' ' ' ILE . 28.3 m -49.55 -48.51 48.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.1 tt0 -61.15 -47.07 87.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.612 ' OE1' ' CD1' ' A' ' 191' ' ' TRP . 0.4 OUTLIER -63.69 -47.74 79.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.923 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.66 -38.16 86.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.39 -41.41 80.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -67.53 -44.11 79.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.087 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.27 -42.36 86.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 16.3 m -65.22 -52.67 53.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.02 -46.33 85.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.497 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.2 tt -51.3 -50.95 58.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 56' ' ' ALA . 11.0 mm -71.39 -25.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.392 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.05 -41.33 82.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.94 -71.95 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -162.08 175.35 38.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -87.2 -22.17 25.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -43.28 -51.0 14.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.96 -38.64 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.758 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.606 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.73 -37.22 86.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.561 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.2 tt0 -72.38 -41.15 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.808 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 22.0 t-20 -78.35 -21.05 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -95.54 -52.94 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 1.177 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.087 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.8 t -88.76 -58.8 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.4 t-80 -67.24 23.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -103.59 -36.64 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.683 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.054 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.88 27.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -131.46 135.76 47.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.698 HD22 HG12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -117.39 140.64 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.554 HG13 HG12 ' A' ' 91' ' ' ILE . 3.0 t -121.56 141.98 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.632 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.98 123.33 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.42 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.1 115.72 5.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -101.07 95.69 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -120.07 -142.78 6.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' HIS . 4.4 m120 -138.96 128.05 14.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.687 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -9.56 20.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.7 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -53.82 -110.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 162.62 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 1.6 m120 -38.83 -61.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.573 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -76.81 -19.52 57.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.069 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . . . -74.03 -27.79 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.637 ' HG2' HG23 ' A' ' 155' ' ' THR . 2.5 tpt180 -59.24 -54.34 47.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.89 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 70.1 p -29.52 -40.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.89 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 150.51 -1.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -63.52 5.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.659 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.2 t-20 -127.68 42.84 3.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD12 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -65.6 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.81 -42.31 4.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.554 1.159 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -79.29 -34.55 42.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 0.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.6 t -67.26 -38.4 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.194 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.884 HG21 HD11 ' A' ' 93' ' ' ILE . 25.6 t -72.78 -52.52 22.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.018 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.01 -46.96 78.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 34' ' ' ALA . 18.4 t0 -60.56 -43.13 97.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.603 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -50.87 -59.92 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -52.54 -50.91 61.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.2 66.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -72.19 -38.76 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -43.87 14.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.9 -164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -92.71 -11.58 59.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.28 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 87.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.742 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -149.82 -157.82 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.646 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -117.12 177.33 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . 167.22 110.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER 174.86 -150.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.685 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' ARG . 5.9 tptp -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -34.08 -55.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.4 p -113.94 -20.53 11.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 104.63 36.24 3.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 161.63 -170.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.584 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -88.13 144.84 26.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -142.71 104.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.742 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -104.16 104.03 13.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 1.094 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.98 126.19 46.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.81 -163.23 9.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.0 ttp180 -151.33 131.11 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 0.718 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -163.25 -179.51 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 43.29 25.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.64 51.83 28.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 175.36 154.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.0 172.26 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.62 126.15 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.094 HG22 HG22 ' A' ' 52' ' ' THR . 6.6 t -109.52 101.11 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.018 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -101.21 107.45 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -121.31 172.76 7.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.48 123.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.779 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.0 -156.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.807 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.687 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -84.31 -82.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 110.233 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.514 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -47.44 -21.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 72' ' ' SER . 31.2 m-85 60.09 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 10' ' ' LEU . 37.0 ttm -30.87 -91.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 69' ' ' MET . 16.2 m-20 -70.65 -32.59 69.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -60.98 -34.64 75.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.837 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.3 t -76.37 -50.86 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.842 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.22 -50.62 16.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.42 -46.56 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -46.25 -49.42 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 80' ' ' ALA . 54.3 mt -67.75 -46.51 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.532 ' HA3' ' HB1' ' A' ' 124' ' ' ALA . . . -29.23 -67.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.96 -46.48 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.757 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.92 -40.69 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.771 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.39 -50.33 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -15.86 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.706 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.4 t80 -76.03 -42.9 46.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.8 -0.64 35.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.4 t 51.87 46.07 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 89' ' ' ASN . 0.8 OUTLIER -125.81 163.09 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.225 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -89.18 154.62 49.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.522 ' HB2' ' HB3' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.98 -5.47 16.84 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -62.35 -16.15 52.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.692 HD21 HG22 ' A' ' 85' ' ' VAL . 5.8 p30 -105.05 -18.59 14.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.698 HG12 HD22 ' A' ' 6' ' ' LEU . 32.0 mt -85.33 131.69 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.554 HG12 HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -131.51 119.19 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 ' CG2' ' A' ' 8' ' ' VAL . 62.3 t -100.47 124.22 53.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.884 HD11 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -105.27 141.59 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 1.004 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.4 t-160 -147.15 -172.92 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.595 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.772 ' OD2' HG21 ' A' ' 137' ' ' ILE . 4.6 t70 -111.48 144.45 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 137' ' ' ILE . 1.0 OUTLIER -152.09 169.13 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 pp -105.91 116.03 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.405 ' OD1' HD12 ' A' ' 99' ' ' LEU . 8.2 t0 -110.22 -83.36 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -129.38 -91.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.74 172.88 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -92.0 77.18 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.83 40.55 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.786 ' O ' HG23 ' A' ' 135' ' ' ILE . 6.4 tpp85 -131.15 161.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 0.78 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.89 ' CG2' HD11 ' A' ' 165' ' ' ILE . 1.5 pp -123.85 165.29 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.63 101.02 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.786 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.72 138.89 39.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -148.22 177.77 9.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -113.71 -82.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.529 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -121.31 39.13 2.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . -49.02 -101.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.14 -115.77 1.75 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -163.73 86.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.47 ' N ' HD12 ' A' ' 118' ' ' LEU . . . -90.49 80.08 1.41 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.471 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . 151.06 -61.09 0.41 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.582 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER 83.96 -38.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 0.762 . . . . 0.0 109.588 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -52.66 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -73.27 -27.52 67.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.907 ' O ' HG23 ' A' ' 122' ' ' VAL . 2.2 mt -64.09 -60.04 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 0.789 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.582 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.1 ttp85 -64.1 -36.15 83.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -59.99 -38.34 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.842 HG22 ' HA2' ' A' ' 73' ' ' GLY . 76.6 t -73.89 -39.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 118' ' ' LEU . 9.3 t -72.93 -28.95 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . . . -75.93 -36.97 59.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.34 -48.39 15.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 121' ' ' VAL . 5.0 mt -78.96 -21.97 46.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.648 ' O ' HG22 ' A' ' 127' ' ' THR . . . 73.72 1.73 59.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 81.11 130.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.577 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.7 mmtt -159.07 21.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.72 ' O ' HD11 ' A' ' 108' ' ' ILE . 2.1 t70 89.63 22.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.87 ' CE2' HG22 ' A' ' 122' ' ' VAL . 1.6 p90 -47.76 169.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.536 ' OE1' HG22 ' A' ' 91' ' ' ILE . 71.5 mt-30 -112.77 155.47 24.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.454 ' NE ' ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -141.58 149.34 40.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 8.2 t -140.0 85.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.0 mpp_? -92.8 143.97 25.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.004 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.4 mp -100.32 149.65 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 98' ' ' ASP . . . -103.71 105.06 2.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 1.0 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -106.67 104.5 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 151' ' ' LEU . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.97 98.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.6 -23.66 60.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 1.0 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -78.21 -33.82 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 147' ' ' ALA . 1.2 mt -100.59 49.96 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 11.5 mt-10 -60.31 -102.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.566 ' C ' ' H ' ' A' ' 155' ' ' THR . 18.7 t-20 159.83 47.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.701 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.9 OUTLIER -71.48 27.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.637 HG23 ' HG2' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -22.68 -52.12 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.701 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.97 -70.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 161' ' ' GLU . . . -46.49 -41.76 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.703 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -74.67 -30.08 61.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.4 OUTLIER -58.92 -46.05 88.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.726 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.94 -34.48 57.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.898 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.9 mm-40 -76.01 -37.64 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.703 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -52.29 -50.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -28.57 8.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.544 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 11.1 m -61.51 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.907 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -69.09 -50.25 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.907 ' N ' HD13 ' A' ' 165' ' ' ILE . 36.0 m -47.01 -47.04 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -44.65 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -65.23 -49.29 70.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.875 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -67.06 -35.87 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -59.51 -41.93 91.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -67.39 -44.26 79.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.035 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.15 -43.77 87.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.4 m -60.61 -51.59 68.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.71 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.521 ' HA ' ' HB2' ' A' ' 178' ' ' GLU . 0.2 OUTLIER -66.23 -42.12 89.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.8 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.8 tt -54.73 -40.9 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.566 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 42.9 mt -75.47 -29.32 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.521 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -59.04 -63.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -125.51 -71.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -154.4 -179.95 30.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.8 ptt? -89.21 -17.66 28.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -47.91 -48.25 62.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.97 -38.88 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.05 -36.62 84.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.621 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.33 -41.07 66.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.796 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 3.4 m-20 -78.2 -21.49 49.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -95.12 -52.4 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.035 HG21 ' HB2' ' A' ' 172' ' ' ALA . 35.2 t -89.05 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.621 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 23.5 t-80 -67.23 22.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 0.0 109.586 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.796 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -104.43 -34.98 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.71 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.0 -174.31 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -137.37 140.39 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -125.2 136.24 53.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.004 HG13 ' CG1' ' A' ' 91' ' ' ILE . 1.9 t -127.8 139.81 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.906 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -131.06 120.19 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.501 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.92 114.87 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.693 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -102.63 114.71 29.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.17 -154.27 8.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -133.38 119.3 15.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 17.9 Cg_endo -75.08 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.691 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 82.54 -154.36 32.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -118.2 -85.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -49.58 -54.84 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -13.49 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -51.22 -39.37 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 21' ' ' ARG . 22.0 mmt-85 -85.67 -99.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.974 ' HB ' HD23 ' A' ' 151' ' ' LEU . 11.1 p 44.85 13.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 71.98 -10.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 12' ' ' ASN . 25.4 m80 -73.45 16.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.638 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 21' ' ' ARG . 10.9 t-20 -109.94 3.39 20.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.994 HD12 HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -39.2 -63.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -31.66 -60.31 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 33.4 t80 -75.02 -33.73 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.9 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.994 HG23 HD12 ' A' ' 24' ' ' LEU . 13.3 t -69.81 -52.36 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.63 ' HB3' ' HZ1' ' A' ' 64' ' ' LYS . . . -56.67 -45.79 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 18.1 t0 -59.68 -42.4 92.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.77 -62.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.93 -48.99 78.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -60.7 -25.23 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -81.14 -27.83 35.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.06 -41.8 14.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -22.61 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.12 -26.21 18.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.77 144.61 54.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -139.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.689 ' CZ ' HD12 ' A' ' 62' ' ' LEU . 4.1 m-85 -154.15 149.2 26.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -119.35 179.01 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.36 116.29 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 178.68 -150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.657 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 84.43 157.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -40.11 78.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.592 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -68.01 -21.23 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.43 87.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.761 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -166.6 179.6 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 2.8 p -176.93 161.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -158.77 144.77 16.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.06 126.56 36.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -159.92 10.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.429 1.08 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 55' ' ' SER . 4.0 mtp180 -156.33 164.98 37.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 1.1 m 154.31 -175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.014 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.776 ' HA ' HG23 ' A' ' 177' ' ' ILE . . . 38.17 30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 63.36 52.27 48.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.167 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 172.01 160.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.428 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.1 p -62.92 173.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -155.66 125.45 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.2 t -108.32 107.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.778 HD11 ' HZ3' ' A' ' 64' ' ' LYS . 3.0 tm? -103.6 109.08 20.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.535 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -119.64 170.3 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.778 ' HZ3' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 177.35 120.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.775 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.1 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.493 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 33.2 mmt180 -85.02 -82.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.18 -21.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 59.79 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.693 ' HA ' HD13 ' A' ' 10' ' ' LEU . 52.3 ttm -25.18 -89.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' N ' ' HG2' ' A' ' 69' ' ' MET . 7.0 m120 -72.22 -37.83 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.3 tt0 -58.49 -31.25 67.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.901 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.4 t -79.39 -57.84 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.94 -50.38 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.971 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.59 -46.75 45.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.5 tt0 -43.17 -51.89 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.236 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 55.2 mt -67.67 -46.39 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.971 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.97 -46.24 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.53 -40.99 65.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.68 -50.07 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -18.02 61.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.702 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -74.18 -45.08 50.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.34 -15.02 41.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 p 54.96 50.95 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.589 HG22 ' OD1' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -97.99 161.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -83.87 155.29 64.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.668 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -5.25 16.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.07 -15.23 58.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.381 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -109.21 -14.28 14.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.43 124.79 41.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.004 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -138.5 116.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.906 HG22 ' CG2' ' A' ' 8' ' ' VAL . 4.5 t -107.4 132.54 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.766 HD11 HD11 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -112.77 143.64 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.794 ' O ' HD12 ' A' ' 135' ' ' ILE . 12.1 t-160 -149.61 168.73 22.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.57 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -100.32 144.22 29.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' CG ' ' CE1' ' A' ' 115' ' ' HIS . 3.5 t0 -150.91 167.55 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.35 104.95 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -98.25 -81.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 -72.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 138' ' ' GLY . 13.3 tt0 -85.87 163.15 18.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -93.79 43.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.44 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -175.88 52.54 0.12 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.829 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.5 mmm-85 -133.95 156.67 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 165' ' ' ILE . 1.6 pp -118.15 161.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.25 105.32 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.845 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.6 129.91 53.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.614 1.196 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -151.54 -179.43 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.756 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -134.59 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.575 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.11 -68.91 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -67.42 123.1 19.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 154.04 171.02 20.64 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 64.86 152.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.792 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.34 -63.28 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -94.52 -49.42 2.36 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.475 ' CE1' ' CG ' ' A' ' 96' ' ' ASP . 18.5 m170 -42.92 127.19 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.727 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.39 -47.3 76.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.28 -57.25 20.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.567 1.167 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.403 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 10.8 mt -53.31 -42.69 66.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.491 ' O ' HG12 ' A' ' 122' ' ' VAL . 4.6 ttm180 -59.78 -38.02 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.1 t -71.67 -30.01 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.033 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 1.077 HG13 HD12 ' A' ' 125' ' ' LEU . 2.3 t -69.59 -44.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.606 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.89 -37.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.74 -37.31 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.64 -50.44 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 1.077 HD12 HG13 ' A' ' 121' ' ' VAL . 20.0 mt -77.72 -21.67 51.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.606 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.24 1.39 63.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 122' ' ' VAL . 0.4 OUTLIER 77.42 118.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 56.6 mmtt -141.02 8.53 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.756 ' O ' HD11 ' A' ' 108' ' ' ILE . 3.0 m-20 92.97 20.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.757 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 54.8 m-85 -54.84 150.46 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.428 ' C ' ' HG2' ' A' ' 132' ' ' ARG . 15.5 mt-30 -84.35 157.31 21.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 9.1 mtt180 -141.84 150.83 42.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 133' ' ' VAL . 3.8 t -137.48 84.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.2 mtp180 -87.99 144.15 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.829 HG23 ' O ' ' A' ' 103' ' ' ARG . 4.9 mp -98.77 148.42 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -109.73 96.18 0.93 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.611 1.194 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.542 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -114.08 62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.4 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.94 98.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.445 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 0.3 OUTLIER -68.34 -25.71 65.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 147' ' ' ALA . 0.4 OUTLIER -77.8 -30.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.974 HD23 ' HB ' ' A' ' 20' ' ' THR . 1.2 mt -111.16 34.85 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 1.2 mm-40 -68.4 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.632 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.7 t-20 157.48 51.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.817 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -67.17 27.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.632 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.13 -51.87 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.716 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.817 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.15 -41.39 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.394 1.059 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.585 ' O ' ' N ' ' A' ' 162' ' ' VAL . 13.9 mt-10 -73.42 -32.26 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.033 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.62 -42.26 87.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.711 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.31 -34.45 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 1.024 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.4 mm-40 -74.71 -36.51 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -55.42 -51.93 75.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.033 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.97 -25.36 12.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -65.07 -61.63 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.024 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -65.9 -54.5 26.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.733 ' N ' HD13 ' A' ' 165' ' ' ILE . 76.8 m -46.01 -44.8 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 108.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -59.48 -45.19 92.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.591 ' HG3' ' N ' ' A' ' 169' ' ' ALA . 1.7 pt20 -66.34 -41.89 88.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.62 -37.82 80.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.38 -37.48 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.9 m-20 -67.25 -45.02 77.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.083 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.78 -41.4 82.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.7 m -65.02 -51.87 59.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.524 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -55.93 -48.62 75.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.524 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -62.53 -38.6 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.3 tt -54.51 -46.35 73.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 56' ' ' ALA . 8.8 mt -67.83 -34.18 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.37 -48.13 77.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -144.88 -71.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.459 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -157.67 177.03 34.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 21.1 ptp -86.45 -19.15 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 0.731 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.4 mt-10 -40.96 -50.72 7.6 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.95 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.51 1.795 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.51 -39.81 94.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.552 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -71.65 -39.91 70.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.092 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.963 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 53.7 t30 -78.78 -22.01 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.81 -53.67 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.083 HG21 ' HB2' ' A' ' 172' ' ' ALA . 40.5 t -87.02 -58.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -70.43 22.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.963 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -89.18 -49.97 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.592 ' CZ2' ' HG2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.05 130.73 13.48 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.437 HD11 ' NE ' ' A' ' 58' ' ' ARG . 0.9 OUTLIER -133.87 141.37 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -109.17 145.8 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.961 HG12 ' CG1' ' A' ' 91' ' ' ILE . 15.8 m -131.77 139.26 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -127.84 124.88 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -91.74 110.18 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.844 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -93.29 99.22 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.61 -147.1 8.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.554 1.159 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.569 ' ND2' ' CG ' ' A' ' 22' ' ' HIS . 3.0 m-20 -136.03 120.37 12.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.01 114.78 4.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.427 1.751 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 55.12 -154.99 9.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 71.29 134.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 0.776 . . . . 0.0 109.285 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -65.07 -11.95 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.795 ' CD1' HD22 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -70.26 -17.69 63.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.04 70.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -49.95 -30.42 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -78.42 28.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.758 ' NH1' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER 63.59 15.58 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.7 ' CE1' HD21 ' A' ' 151' ' ' LEU . 1.9 t-160 -66.07 8.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.4 t-20 -129.76 38.17 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -59.93 -42.91 94.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.34 -55.59 21.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -78.4 -22.92 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.758 HG21 ' NH1' ' A' ' 21' ' ' ARG . 7.0 t -74.9 -38.51 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.543 HG11 HD12 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -76.85 -42.35 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.06 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.79 -44.96 91.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.4 t70 -67.56 -37.65 82.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -54.63 -56.96 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.39 -48.03 80.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.779 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -70.87 -41.15 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -80.06 -43.24 22.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.06 -166.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.76 -16.56 70.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 33' ' ' ALA . . . 39.07 101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -142.69 31.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HA ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -82.53 -163.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 111.055 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -151.07 -166.63 2.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 1.056 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -173.0 144.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ALA . 16.9 t-80 -143.24 177.28 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.554 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -85.87 -165.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' LYS . 14.0 ttt85 36.22 -143.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.486 ' C ' HD11 ' A' ' 79' ' ' LEU . 40.7 p -70.5 53.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -130.67 -66.86 0.1 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 47.39 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.8 mt-10 -73.6 142.96 46.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 33.3 m -153.95 120.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.624 ' HA ' ' HB2' ' A' ' 40' ' ' PHE . . . -119.55 110.08 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.75 125.02 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.42 120.41 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 118.45 11.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' GLY . 82.8 p -179.11 -172.45 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.33 31.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 59.35 57.03 21.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HB2' ' CG2' ' A' ' 177' ' ' ILE . 0.0 OUTLIER -174.5 156.08 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.91 168.05 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 60' ' ' LEU . 3.5 pp -171.39 111.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.598 HG11 HD11 ' A' ' 6' ' ' LEU . 7.1 t -103.92 99.61 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.06 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.4 tm? -89.43 110.05 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -127.52 171.06 11.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HG2' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER 177.99 123.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.624 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.98 -153.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.431 1.753 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 26.5 mmt85 -81.36 -84.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.704 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.08 -17.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.664 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.629 ' CA ' HD13 ' A' ' 10' ' ' LEU . 18.8 ttm -37.89 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.6 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 6.7 t-20 -60.85 -38.84 86.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.704 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 1.6 tp10 -52.64 -45.35 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 68' ' ' TYR . 46.2 t -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.933 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.737 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.83 -51.73 8.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.987 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.95 -54.89 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.59 ' O ' ' CG ' ' A' ' 79' ' ' LEU . 10.3 mm-40 -42.66 -48.66 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.73 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.4 mm -67.25 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.09 -69.49 0.15 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.571 1.17 . . . . 0.0 111.064 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.987 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.97 -40.01 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.809 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.12 -50.46 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -15.95 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.3 t80 -75.67 -44.17 43.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.97 2.75 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.3 m 51.77 46.5 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 86' ' ' ALA . 27.4 t -118.37 155.43 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -84.06 158.14 61.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.55 ' HB2' ' HB3' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.09 -22.26 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -8.14 3.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.7 m-20 -106.13 -19.49 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 34.3 mt -86.87 134.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.961 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -133.55 120.13 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 2.5 p -102.24 123.47 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.543 HD12 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -101.77 140.36 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 1.055 ' O ' HD12 ' A' ' 135' ' ' ILE . 7.6 t-160 -145.4 176.67 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.469 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -108.57 142.13 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.733 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -157.0 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.088 HD22 HG23 ' A' ' 150' ' ' VAL . 2.5 pt? -104.97 116.11 31.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 138' ' ' GLY . 36.4 m-20 -102.13 -80.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 138' ' ' GLY . 24.2 mt -129.13 -79.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 138' ' ' GLY . 37.7 mp0 -90.29 168.56 11.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CE1' HG12 ' A' ' 137' ' ' ILE . 6.2 m-85 -92.39 85.39 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.34 46.8 0.03 OUTLIER Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 135' ' ' ILE . 1.6 tmm_? -133.59 154.49 50.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.886 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.4 pp -118.84 154.49 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 134' ' ' ARG . 17.5 ttt180 -137.49 104.51 5.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.91 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.38 125.67 51.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.073 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -141.95 161.98 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -108.03 -54.66 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.523 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -83.24 -44.84 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 36.38 -127.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.4 89.13 0.1 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.53 -47.83 1.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.01 109.89 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.25 61.81 0.64 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.451 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 172.85 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 0.729 . . . . 0.0 109.601 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 120' ' ' SER . 7.2 m120 -72.88 -41.92 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -66.52 -55.13 19.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.055 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 122' ' ' VAL . 15.7 mt -57.08 -52.59 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.8 m -70.86 -30.78 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.737 HG22 ' HA2' ' A' ' 73' ' ' GLY . 53.6 t -71.63 -41.98 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 127' ' ' THR . 11.5 t -73.62 -29.54 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.54 -36.61 63.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -76.63 -46.68 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.809 HD21 ' CB ' ' A' ' 80' ' ' ALA . 6.3 mt -78.87 -22.33 46.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.7 4.5 61.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.723 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.9 t -138.28 161.18 37.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.602 ' HD3' ' C ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -121.55 21.98 10.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -72.9 -3.31 24.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.607 ' CE2' ' HG3' ' A' ' 132' ' ' ARG . 2.3 p90 -82.0 176.53 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.465 ' HG2' ' HB ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -124.93 165.36 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.607 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -142.5 150.44 40.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 106' ' ' LEU . 11.5 t -124.29 85.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.2 mtp180 -86.96 144.62 26.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.055 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -98.54 148.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.5 ' HA3' ' HB2' ' A' ' 98' ' ' ASP . . . -112.84 96.65 0.83 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.733 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -107.86 101.7 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.473 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.25 84.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.31 -19.89 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 1.088 HG23 HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -79.52 -37.43 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.249 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' A' ' 17' ' ' TYR . 2.8 mt -106.73 51.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.4 mt-10 -66.27 -104.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 16.7 t30 150.78 46.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.817 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -72.21 28.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.598 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -20.47 -53.06 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.691 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -71.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.817 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -40.44 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.747 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.8 mt-10 -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.44 -45.5 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.721 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.65 -35.65 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.2 mm-40 -76.82 -36.1 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.747 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.1 t -52.32 -50.71 78.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -30.47 7.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.494 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 14.6 m -56.54 -51.91 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.987 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -81.67 -46.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.987 ' N ' HD13 ' A' ' 165' ' ' ILE . 23.6 m -49.01 -48.59 43.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 8.6 pt-20 -68.78 -47.11 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.954 ' HG2' HG13 ' A' ' 188' ' ' VAL . 6.1 tt0 -60.19 -48.87 79.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.886 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -64.68 -41.52 96.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.37 -38.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 6.2 m-20 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.075 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.31 -42.11 81.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -66.07 -53.92 32.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.29 -43.3 83.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -67.35 -41.43 85.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.8 tt -52.75 -43.49 65.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 49.2 mt -77.39 -27.66 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -67.2 -31.77 72.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -155.56 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -162.43 173.77 38.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.426 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 0.9 OUTLIER -85.49 -24.11 27.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 0.753 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -39.49 -51.57 4.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.98 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.53 -39.51 93.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.576 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.0 tt0 -72.49 -39.56 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.746 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 57.0 t30 -79.06 -20.07 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 183' ' ' PRO . 3.8 ttt180 -97.28 -53.21 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.075 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.1 t -87.54 -57.58 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.576 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -69.11 23.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.45 60.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.556 ' CD1' ' OE1' ' A' ' 168' ' ' GLN . 23.6 m-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.543 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.97 163.44 35.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.396 1.735 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.82 164.72 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.568 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -106.8 144.19 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.842 HG13 ' CG1' ' A' ' 91' ' ' ILE . 15.0 t -125.6 143.55 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.86 120.06 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.74 110.22 3.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.857 HD11 ' NE2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.67 115.48 28.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.566 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.33 -144.39 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.01 116.43 11.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.37 6.69 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -67.09 -120.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 173.06 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -46.64 -43.18 17.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.857 ' CE2' HD21 ' A' ' 151' ' ' LEU . 5.0 t80 -88.37 -19.14 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.72 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 21' ' ' ARG . 6.2 tpt180 -58.18 -12.94 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 17' ' ' TYR . 48.9 p -77.24 21.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.804 ' NH1' HG22 ' A' ' 162' ' ' VAL . 1.6 mmm180 65.48 7.49 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -68.25 10.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.586 ' H ' ' C ' ' A' ' 21' ' ' ARG . 62.5 t30 -119.44 11.72 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.888 ' HB3' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -40.8 -46.13 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.499 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -49.18 -58.74 7.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 2.7 t80 -79.9 -19.88 47.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 0.785 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.1 t -75.24 -42.35 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 24' ' ' LEU . 1.8 t -78.84 -36.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.625 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.62 -44.3 94.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 26' ' ' PHE . 1.8 m-20 -68.29 -46.86 69.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.83 -56.42 12.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.07 -49.56 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.97 -45.04 96.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.69 -40.01 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -47.54 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -173.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -85.65 41.4 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.749 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -29.63 119.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.58 35.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HA ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.1 -164.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -152.74 -165.72 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.98 52.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.14 109.95 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.545 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -72.53 -60.71 2.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.235 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -36.81 -45.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.679 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -86.01 -49.89 7.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.5 65.57 0.9 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.57 170.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.48 148.01 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.552 HG12 ' HB2' ' A' ' 63' ' ' ALA . 2.3 m -142.29 119.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.624 ' HA ' ' HB2' ' A' ' 40' ' ' PHE . . . -120.91 107.12 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 1.004 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -100.46 125.42 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.98 -161.93 8.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -149.19 169.82 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.222 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER 157.69 172.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 46.02 22.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 70.18 49.69 31.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -179.38 152.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.543 ' CB ' ' HB3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -79.0 171.8 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.2 129.57 5.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.004 HG22 HG22 ' A' ' 52' ' ' THR . 32.7 t -106.63 102.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -101.03 113.26 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.552 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -127.08 175.06 8.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.25 122.39 0.21 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.697 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 -154.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.5 ' C ' ' N ' ' A' ' 68' ' ' TYR . 7.4 mmt180 -84.74 -87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -45.85 -21.44 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.878 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 62.49 -81.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.641 ' N ' HD13 ' A' ' 10' ' ' LEU . 7.8 ttm -29.18 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' N ' ' HG2' ' A' ' 69' ' ' MET . 56.9 m-20 -64.57 -35.88 82.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.4 mt-10 -59.69 -30.23 68.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.878 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.4 t -77.26 -57.64 3.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.858 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -43.78 -50.72 7.15 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.507 1.129 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.27 -48.57 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.385 0.697 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 3.8 tp60 -41.55 -50.83 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.744 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.7 mt -68.26 -44.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.0 -67.5 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.91 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.446 1.761 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.3 -40.74 64.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.744 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -48.95 65.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -17.43 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.746 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -73.36 -45.79 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.541 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 27.8 m-85 -89.0 -15.85 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.4 p 55.27 53.07 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.058 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.632 HG12 ' H ' ' A' ' 86' ' ' ALA . 2.7 t -101.42 176.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.632 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -80.62 124.76 81.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.944 ' O ' HG22 ' A' ' 90' ' ' ILE . 18.5 Cg_endo -74.97 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.41 1.12 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.781 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-20 -116.23 1.88 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.944 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -93.27 128.16 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.842 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -126.14 114.98 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.462 ' HA ' HG23 ' A' ' 8' ' ' VAL . 9.0 p -103.42 124.96 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.536 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -108.37 148.38 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.857 ' NE2' HD11 ' A' ' 10' ' ' LEU . 9.5 t-160 -157.11 169.23 25.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.526 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 11.5 t0 -100.68 143.56 30.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.6 t0 -157.74 154.32 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.1 pt? -86.61 96.77 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -89.9 -70.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.439 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -132.68 -94.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -90.5 171.57 9.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 149' ' ' PHE . 1.6 m-85 -92.52 105.26 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.627 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 126.77 39.97 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.777 ' O ' HG23 ' A' ' 135' ' ' ILE . 2.0 mmm-85 -133.04 156.82 46.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.786 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.8 pp -120.33 161.54 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.0 ttm180 -149.77 105.64 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.82 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.75 131.71 51.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.43 179.09 8.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.747 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.4 tp -120.89 -89.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.747 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -65.17 -50.29 57.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.05 76.52 0.73 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -138.53 -160.72 8.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 49.38 77.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.05 54.63 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.24 60.26 2.42 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.437 ' NE2' ' OD2' ' A' ' 96' ' ' ASP . 2.0 m-70 -130.45 118.55 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 109.586 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -58.39 -37.33 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.5 -64.89 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.708 ' O ' HG12 ' A' ' 121' ' ' VAL . 6.2 mt -53.69 -50.11 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.1 ttt180 -58.71 -31.1 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.2 m -75.19 -28.17 59.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.858 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -70.87 -43.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.388 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.694 HG23 ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -67.6 -46.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -68.51 -38.69 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -64.63 -43.39 93.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -80.33 -23.59 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 65.16 7.88 33.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.97 -153.38 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -173.66 35.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 11.1 m-20 -135.7 97.76 3.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CE1' HG23 ' A' ' 122' ' ' VAL . 19.1 p90 -175.72 -179.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -127.55 164.45 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.518 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -144.42 150.66 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.621 HG22 ' HB2' ' A' ' 106' ' ' LEU . 17.5 t -121.76 89.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mtp85 -88.28 143.29 27.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.888 HD13 ' HB3' ' A' ' 24' ' ' LEU . 4.9 mp -102.94 147.57 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -99.71 104.66 2.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.61 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.3 pp -115.14 89.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.54 92.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 101' ' ' PHE . 1.6 t80 -77.31 -27.25 52.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.548 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -68.98 -30.45 46.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.857 HD21 ' CE2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -81.96 9.43 8.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.641 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 tp10 -106.59 -119.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.641 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 5.5 t30 144.42 145.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.84 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -78.49 39.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -12.01 -56.28 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.741 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 17.9 Cg_endo -75.08 -82.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.84 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -43.94 -26.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.892 ' HG2' HG23 ' A' ' 162' ' ' VAL . 2.0 tt0 -77.71 -40.95 39.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.015 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.35 -42.07 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.588 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.06 -35.56 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.668 ' O ' ' N ' ' A' ' 165' ' ' ILE . 3.0 tt0 -79.06 -35.0 43.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.892 HG23 ' HG2' ' A' ' 158' ' ' GLU . 1.1 t -52.16 -54.06 45.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.015 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.0 Cg_endo -75.03 -34.93 3.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.801 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 17.7 m -71.9 -40.34 68.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.668 ' N ' ' O ' ' A' ' 161' ' ' GLU . 4.3 tp -76.06 -57.83 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.561 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 69.6 m -45.97 -48.48 16.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.18 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 4.1 tt0 -61.16 -47.79 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.669 ' HB3' HG13 ' A' ' 188' ' ' VAL . 3.0 mm100 -62.2 -48.57 79.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.786 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.63 -38.48 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.32 74.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 m-20 -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.903 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.72 -39.28 84.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.8 m -62.39 -51.81 66.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -55.92 -48.03 76.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.57 HD23 ' HG2' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -64.61 -34.73 78.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 181' ' ' MET . 7.1 tp -54.65 -54.52 40.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.6 mm -72.47 -22.93 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.232 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -69.16 -72.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -114.4 -73.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.54 -159.57 9.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.664 ' HB3' HD11 ' A' ' 176' ' ' LEU . 1.0 OUTLIER -105.59 -20.37 13.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.933 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.564 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -47.81 -48.14 61.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.57 ' HG2' HD23 ' A' ' 175' ' ' LEU . 18.3 Cg_endo -75.07 -38.57 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.69 -40.33 92.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.562 ' O ' ' C ' ' A' ' 189' ' ' HIS . 1.8 tt0 -69.9 -39.57 76.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.976 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.9 t-20 -79.9 -22.23 43.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.9 ttt180 -93.37 -53.81 3.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.903 HG21 ' HB2' ' A' ' 172' ' ' ALA . 79.2 t -88.47 -57.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.562 ' C ' ' O ' ' A' ' 185' ' ' GLN . 41.2 t-80 -70.83 14.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.976 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -68.1 -32.92 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 191' ' ' TRP . 5.1 p-90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 107.975 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.22 42.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -129.61 137.98 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.784 HD22 HG12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -107.34 145.83 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.387 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.889 HG12 HG12 ' A' ' 91' ' ' ILE . 10.0 m -135.66 140.62 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.805 HG23 HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -130.88 125.18 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.482 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -90.71 107.92 3.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -88.05 94.95 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.4 -151.11 9.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -134.49 126.55 18.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 -0.19 9.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.74 -150.37 0.21 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.563 1.164 . . . . 0.0 111.055 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.96 -78.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 0.796 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -48.92 -35.78 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.601 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -94.27 -19.29 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.55 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -46.5 -24.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 152' ' ' GLU . 12.1 p -77.11 30.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.611 ' C ' ' H ' ' A' ' 23' ' ' ASN . 2.2 mtt180 63.55 10.46 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.471 ' ND1' ' CD2' ' A' ' 151' ' ' LEU . 0.9 OUTLIER -64.54 7.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.611 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.3 t-20 -122.92 19.6 10.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.742 HD13 HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -37.58 -47.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.518 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.09 -58.31 10.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 8.9 t80 -77.23 -20.83 54.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -75.0 -42.06 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.742 HG23 HD13 ' A' ' 24' ' ' LEU . 4.0 t -73.39 -48.54 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.37 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.965 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.21 -45.42 79.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -61.08 -48.95 79.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -49.87 -59.88 3.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.1 mt -51.75 -50.13 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -61.08 -44.72 96.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -49.49 -40.13 36.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -52.89 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.87 -174.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -86.31 41.06 3.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.796 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -28.74 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.41 75.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.985 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -141.0 -156.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -157.21 -164.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.79 125.46 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -59.62 110.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -68.77 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -40.16 -39.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.565 ' OG ' HD11 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -82.57 -50.69 8.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.47 54.49 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HB2' ' OE1' ' A' ' 75' ' ' GLN . . . -167.96 165.82 13.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.591 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.7 mt-10 -80.1 144.66 32.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 3.8 m -141.41 113.68 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.985 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -116.02 111.47 20.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.33 125.94 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.47 125.65 4.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -140.91 96.15 2.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -166.76 -160.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.947 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.623 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 43.14 27.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . 63.18 43.87 97.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.168 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 178.41 151.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.313 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.684 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -80.79 179.35 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -178.02 112.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.629 HG11 HD11 ' A' ' 6' ' ' LEU . 55.8 t -101.99 103.68 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.965 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tm? -97.42 110.35 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -128.7 171.38 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -179.16 123.47 0.24 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.652 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.09 -156.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' C ' ' N ' ' A' ' 68' ' ' TYR . 25.0 mmt180 -82.21 -84.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.675 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.02 -17.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.7 m-85 60.95 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.9 ' HA ' HD13 ' A' ' 10' ' ' LEU . 31.1 ttm -38.42 -96.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 69' ' ' MET . 43.8 m-20 -59.87 -34.55 73.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.675 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.8 OUTLIER -56.87 -45.17 82.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.7 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -65.02 -55.27 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.885 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -41.2 -53.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.19 -46.87 21.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 0.811 . . . . 0.0 110.296 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.709 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.9 mm-40 -49.24 -47.5 46.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.813 HG21 HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -67.37 -48.45 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.386 1.054 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.01 -65.81 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.04 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' OG ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.93 -50.76 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -16.13 61.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -75.3 -44.76 43.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.9 m-85 -81.36 4.01 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.6 t 50.62 45.03 27.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.507 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 22.2 t -120.92 151.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.55 155.67 68.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HA ' ' HB ' ' A' ' 90' ' ' ILE . 18.6 Cg_endo -75.0 -9.91 20.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.39 55.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.682 ' O ' ' N ' ' A' ' 6' ' ' LEU . 2.2 p30 -107.09 -19.47 13.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.784 HG12 HD22 ' A' ' 6' ' ' LEU . 14.6 mt -87.04 130.89 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.889 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -133.19 142.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 8' ' ' VAL . 46.2 t -119.59 123.72 71.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.34 141.74 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.923 ' O ' HD12 ' A' ' 135' ' ' ILE . 9.0 t-160 -148.95 -179.92 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.486 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -109.28 144.17 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' HD11 ' A' ' 137' ' ' ILE . 5.8 t0 -149.59 170.97 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -103.23 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.48 -85.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.7 mt -137.42 -62.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.6 mt-10 -89.53 164.55 14.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -92.38 14.27 17.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -151.43 59.88 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 135' ' ' ILE . 76.5 mmt-85 -136.12 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.975 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.1 pp -122.19 161.53 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 134' ' ' ARG . 7.5 ttt180 -147.85 108.19 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.824 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.9 140.94 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -155.96 173.02 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.702 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.7 OUTLIER -102.97 -104.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.702 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.28 -41.47 39.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 45.05 -92.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 109' ' ' GLY . . . 131.21 42.16 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.804 ' CD ' HG21 ' A' ' 122' ' ' VAL . 1.9 mp0 39.45 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -36.8 -61.99 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . 173.87 78.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.831 ' HB2' HD12 ' A' ' 118' ' ' LEU . 58.3 m80 -157.16 135.92 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 120' ' ' SER . 0.5 OUTLIER -62.29 -24.22 67.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.511 ' CA ' ' HG2' ' A' ' 69' ' ' MET . . . -66.31 -64.75 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -54.54 -49.79 69.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -33.93 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 7.8 t -69.84 -29.54 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.885 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.64 -41.83 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.804 HG21 ' CD ' ' A' ' 112' ' ' GLU . 26.0 t -65.18 -39.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.01 -40.34 71.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -72.19 -39.54 68.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.813 HD11 HG21 ' A' ' 76' ' ' ILE . 5.8 mt -79.89 -22.19 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.01 6.48 73.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 71.86 133.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 110.347 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.1 tmtt? 176.21 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.6 m-20 82.1 102.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -135.77 160.29 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.695 ' HB2' HG22 ' A' ' 91' ' ' ILE . 83.3 mt-30 -111.74 154.1 25.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -142.01 148.8 39.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.9 t -140.86 85.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -91.3 145.33 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.9 mp -97.28 149.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -106.82 98.39 1.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -115.83 65.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.45 -39.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.581 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -73.9 -34.8 64.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -61.14 -36.05 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.247 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.601 HD13 ' HE1' ' A' ' 17' ' ' TYR . 39.3 mt -101.25 36.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' ' 149' ' ' PHE . 0.8 OUTLIER -68.32 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.167 . . . . 0.0 110.299 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.613 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.9 t30 159.41 48.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.831 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -68.45 28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.613 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.95 -51.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.455 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.719 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -74.98 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.831 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.76 -42.16 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.238 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.1 mt-10 -74.5 -30.03 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.971 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.21 -46.16 83.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.755 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.75 -33.97 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 1.05 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.4 tp10 -75.96 -37.39 58.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.3 -49.49 87.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.971 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.01 -28.72 8.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.486 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 22.2 m -64.77 -58.99 4.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.05 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.41 -54.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.73 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -46.09 -47.57 17.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 108.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -57.18 -46.23 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.47 ' HB3' HG13 ' A' ' 188' ' ' VAL . 7.2 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.975 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.1 -39.45 82.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.8 73.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.9 t0 -67.33 -44.73 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.033 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.14 -43.43 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.3 m -64.61 -51.15 64.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.406 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -57.44 -46.94 83.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.508 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.5 -35.93 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.4 tt -54.98 -50.6 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 56' ' ' ALA . 47.1 mt -74.86 -24.02 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.79 -32.19 73.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.248 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -158.77 -71.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.409 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.87 176.6 35.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 4.3 ptp -89.62 -17.11 29.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 0.803 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.553 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -47.22 -48.23 55.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -75.04 -40.09 0.99 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.633 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.29 -37.06 85.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.2 tt0 -73.21 -40.35 64.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.88 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 25.4 m-20 -78.93 -19.09 52.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 3.4 ttt180 -98.72 -52.44 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.033 HG21 ' HB2' ' A' ' 172' ' ' ALA . 38.3 t -88.65 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.7 t-80 -54.11 -11.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -116.04 70.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.598 ' CZ3' ' HD2' ' A' ' 103' ' ' ARG . 31.9 m-90 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 107.95 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo -75.03 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -126.84 136.41 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.524 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -114.49 143.7 44.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.952 HG12 ' CG1' ' A' ' 91' ' ' ILE . 5.7 m -134.01 143.02 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.845 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.09 125.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 112.3 4.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.976 HD11 ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -96.26 113.42 25.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.415 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.33 -156.8 10.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.65 116.11 11.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.61 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.02 -91.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 31.85 -148.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.576 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -123.78 -90.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.39 -44.95 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.959 ' CE2' HD21 ' A' ' 151' ' ' LEU . 1.3 t80 -73.16 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 13' ' ' PRO . . . -49.12 -38.34 24.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.615 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.9 mpt_? -83.46 -97.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.675 ' HB ' HD12 ' A' ' 151' ' ' LEU . 70.7 p 40.19 18.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.6 mmp_? 65.1 -5.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.55 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.7 m80 -74.61 16.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.918 ' OD1' HG23 ' A' ' 27' ' ' VAL . 26.5 t-20 -115.3 2.38 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.869 ' CG ' HD13 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -38.44 -42.94 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.59 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -51.91 -58.03 11.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 8.6 t80 -80.48 -19.86 45.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.918 HG23 ' OD1' ' A' ' 23' ' ' ASN . 1.3 t -74.15 -41.39 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.873 HG22 ' SG ' ' A' ' 166' ' ' CYS . 40.4 t -78.14 -48.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.887 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -59.31 -35.42 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 13.9 t70 -70.64 -50.89 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -53.73 -52.39 60.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -59.26 -54.03 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.43 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -75.88 -34.03 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -43.57 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -36.27 79.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.228 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.15 -2.1 83.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.592 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -24.56 135.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -104.81 31.29 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.93 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -57.62 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -174.03 -164.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.602 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -137.4 103.68 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -175.12 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.591 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER 54.38 170.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.55 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.829 ' HB3' HD11 ' A' ' 79' ' ' LEU . 24.1 p -69.22 -42.03 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.007 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 99.18 77.6 1.33 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.839 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 179.88 -178.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.601 0.824 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.5 tt0 -87.75 150.86 23.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.93 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 14.9 p -171.81 158.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.769 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -143.72 125.59 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 125.73 41.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.41 131.19 4.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 5.7 mtp180 -117.54 107.33 14.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 0.737 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.543 ' O ' ' O ' ' A' ' 58' ' ' ARG . 73.8 m -169.35 -172.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 64.92 10.21 6.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 86.9 26.42 31.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.9 mmt-85 -178.47 161.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -76.58 167.82 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -156.64 112.84 3.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.524 HG11 HD11 ' A' ' 6' ' ' LEU . 29.8 t -108.12 105.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.887 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tm? -99.93 112.73 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.412 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -115.5 165.29 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -175.05 111.02 0.27 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.839 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.02 -157.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 68' ' ' TYR . 78.0 mmt-85 -87.71 -78.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -51.36 -17.87 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.358 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.738 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.5 m-85 59.63 -77.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 67' ' ' CYS . 31.8 ttm -33.37 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.403 ' OD1' ' HG2' ' A' ' 69' ' ' MET . 76.5 m-20 -69.7 -31.66 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.76 -34.21 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.738 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.4 t -80.45 -50.99 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -48.26 -48.98 26.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.975 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.54 -43.94 37.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 0.819 . . . . 0.0 110.276 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.59 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.1 tm0? -48.08 -50.41 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.792 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.55 -46.41 80.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.47 -68.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.975 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.829 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.43 -40.7 68.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.792 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.34 -49.46 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -16.94 60.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -73.48 -46.12 49.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.527 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 20.7 m-85 -84.77 -16.16 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.1 p 55.36 52.76 10.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 86' ' ' ALA . 4.9 t -96.12 172.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.582 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -83.93 157.64 63.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.73 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.64 6.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.99 -0.31 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.479 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 90.5 m-20 -105.61 -29.59 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.511 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 7.4 mt -91.13 133.04 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.952 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -135.59 139.84 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.845 HG22 ' CG2' ' A' ' 8' ' ' VAL . 61.9 t -120.28 124.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.016 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.2 pt -104.92 143.36 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.976 ' NE2' HD11 ' A' ' 10' ' ' LEU . 9.3 t-160 -153.33 -178.01 6.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.514 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -105.64 142.16 35.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.582 ' O ' HD13 ' A' ' 137' ' ' ILE . 1.7 t70 -149.77 160.81 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 150' ' ' VAL . 1.8 mp -97.9 102.68 14.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.42 ' OD1' HD12 ' A' ' 99' ' ' LEU . 49.6 t0 -94.84 -75.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -134.53 -97.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.201 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.44 179.61 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.29 86.15 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.79 ' O ' HG23 ' A' ' 135' ' ' ILE . 15.7 tpp180 -132.88 158.86 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.971 HD13 ' CB ' ' A' ' 169' ' ' ALA . 0.3 OUTLIER -123.65 161.47 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.4 1.062 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.8 102.05 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.815 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.53 131.43 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -149.92 174.05 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.533 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -94.5 -55.66 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.533 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.12 -45.11 0.83 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.21 -114.44 3.73 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.39 93.91 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.807 ' OE1' HG21 ' A' ' 122' ' ' VAL . 1.8 tm-20 -78.83 72.64 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 0.834 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.84 -89.78 1.96 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -69.02 64.88 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 5.4 m80 -160.51 106.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -62.81 -38.96 92.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.3 -61.69 6.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 122' ' ' VAL . 12.5 mt -51.39 -42.86 61.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 0.722 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -62.66 -36.24 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.163 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.43 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 125' ' ' LEU . 2.8 t -69.14 -44.23 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.807 HG21 ' OE1' ' A' ' 112' ' ' GLU . 15.1 t -72.52 -26.32 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.79 65.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.06 -43.98 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 130' ' ' PHE . 20.8 mt -78.47 -22.82 46.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.15 5.46 62.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 81.94 120.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.602 ' HB2' ' CE2' ' A' ' 130' ' ' PHE . 36.1 mmtt -141.0 14.4 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 7.9 t0 80.52 17.17 0.62 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.831 ' CD2' HD13 ' A' ' 125' ' ' LEU . 38.3 m-85 -49.44 171.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.568 ' HB2' HG22 ' A' ' 91' ' ' ILE . 24.0 mt-30 -104.47 156.63 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.554 ' NH2' HG22 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -140.42 149.61 42.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 1.016 ' HB ' HG22 ' A' ' 93' ' ' ILE . 3.1 t -134.29 86.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -91.41 143.48 26.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.869 HD13 ' CG ' ' A' ' 24' ' ' LEU . 2.7 mp -98.92 150.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -102.51 96.35 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.631 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.64 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.17 98.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 4.2 t80 -74.96 -19.09 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.664 HG23 HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -81.89 -29.14 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.959 HD21 ' CE2' ' A' ' 17' ' ' TYR . 3.4 mp -89.83 38.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.645 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.8 mm-40 -67.27 -104.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.1 t30 142.85 45.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.856 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -73.26 29.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.63 -53.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.715 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.08 -72.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.856 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.33 9.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 162' ' ' VAL . 17.9 mt-10 -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.003 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.6 OUTLIER -58.67 -43.4 89.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.714 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.8 -34.32 45.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.8 mm-40 -75.23 -36.85 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.637 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.4 t -54.68 -51.47 78.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.003 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -25.5 11.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.537 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -60.74 -57.03 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.724 HG13 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -75.13 -55.15 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.873 ' SG ' HG22 ' A' ' 28' ' ' VAL . 62.6 m -40.69 -43.97 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.9 tt0 -69.49 -44.83 70.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 165' ' ' ILE . 2.8 mm-40 -64.27 -50.11 69.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.971 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -64.75 -36.16 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -60.95 -40.44 93.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.2 t0 -66.94 -43.17 83.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.43 -42.14 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.2 m -62.78 -52.45 63.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.1 pt-20 -58.14 -47.2 84.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.501 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -65.46 -41.55 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.4 tt -50.22 -50.7 48.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 23.8 mt -75.68 -23.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -65.24 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -160.7 -71.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -155.19 173.37 33.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.4 ptt? -90.01 -17.48 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -48.87 -47.44 73.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.01 -38.79 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.654 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.64 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.397 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.603 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -71.17 -40.67 71.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.801 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 56.1 t30 -78.37 -20.95 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.64 -52.58 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.359 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.037 HG21 ' HB2' ' A' ' 172' ' ' ALA . 36.4 t -87.77 -57.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -68.37 22.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.22 -35.29 7.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.671 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.41 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -74.99 158.88 41.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.534 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -124.56 137.37 54.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.642 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -106.74 146.81 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.877 ' HB ' HD22 ' A' ' 62' ' ' LEU . 40.4 t -129.85 146.23 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.824 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.2 121.17 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.67 113.77 4.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.581 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -89.13 90.35 8.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -109.1 -150.75 14.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 22' ' ' HIS . 52.2 t30 -139.62 126.43 12.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.726 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -9.93 20.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.96 -141.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -164.49 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 0.727 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.472 ' CG ' ' N ' ' A' ' 17' ' ' TYR . 6.2 p30 -43.49 -46.29 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -88.8 -19.77 25.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.937 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.69 -28.24 62.57 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.3 tpt180 -58.45 -58.18 9.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.686 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 71.5 p -30.82 -37.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.76 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 141.43 6.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.37 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -61.54 3.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.659 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.7 t-20 -122.38 40.4 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.999 HD12 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -65.33 -56.37 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.93 -43.27 30.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 7.2 t80 -79.43 -30.68 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.4 t -71.46 -40.39 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 93' ' ' ILE . 2.4 t -71.79 -49.48 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.49 -48.68 71.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -60.04 -44.44 94.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -54.31 -62.44 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 11.4 mt -54.93 -28.63 52.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -73.05 -54.49 8.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.03 -28.73 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -49.82 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -81.8 10.61 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.85 -52.16 0.52 Allowed Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -39.25 138.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -100.75 -141.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 2.5 m-85 -147.97 148.22 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -121.8 -164.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' H ' ' CG ' ' A' ' 41' ' ' LYS . . . -128.63 121.24 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 143.7 28.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -79.21 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 1.3 mpt_? 66.68 -63.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.9 m -115.62 -12.07 11.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.94 90.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.6 1.188 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.595 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -166.73 168.92 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.725 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.0 mm-40 -87.83 150.75 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.659 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 3.0 p -174.43 163.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -167.12 145.6 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 127.31 33.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.449 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -118.83 112.0 2.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.96 116.01 30.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 0.729 . . . . 0.0 110.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 174.21 -159.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.936 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.883 ' HB1' HD13 ' A' ' 177' ' ' ILE . . . 41.72 28.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.29 48.51 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER 168.33 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.44 165.48 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.865 HD12 HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -162.09 123.21 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 6' ' ' LEU . 53.5 t -104.78 106.65 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.877 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -94.08 113.4 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -127.89 168.12 15.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 172.36 120.75 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.749 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -154.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.726 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 8.7 mpt_? -80.8 -84.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.593 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.07 -21.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.761 ' O ' ' N ' ' A' ' 72' ' ' SER . 35.7 m-85 61.04 -80.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.515 ' O ' ' O ' ' A' ' 68' ' ' TYR . 2.1 ttm -32.27 -97.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.679 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 21.1 m-20 -62.7 -38.62 91.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.593 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -53.0 -45.69 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.761 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.2 t -65.25 -46.8 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.871 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.49 -52.86 7.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.928 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.17 -51.52 10.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 28.8 mm-40 -44.49 -49.42 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.766 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.67 -48.52 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.13 -67.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.928 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.86 -45.65 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -54.47 -40.77 68.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.805 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.54 -50.08 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -16.73 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -74.51 -44.77 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.416 ' HB3' HG23 ' A' ' 85' ' ' VAL . 6.6 m-85 -80.2 2.15 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.0 t 52.63 45.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 83' ' ' TYR . 77.2 t -112.8 147.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.508 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -82.74 165.14 43.51 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.508 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.3 Cg_endo -75.05 -21.75 15.43 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.558 1.82 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -11.1 38.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 6' ' ' LEU . 65.4 m-20 -110.6 -11.93 14.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 81.8 mt -93.02 135.55 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.815 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -133.81 117.44 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.824 HG22 ' CG2' ' A' ' 8' ' ' VAL . 57.5 t -103.26 122.71 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.684 HD13 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -105.68 145.87 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.818 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -154.14 179.51 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.6 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CG ' ' CD ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -108.02 143.04 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -152.21 152.12 31.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 150' ' ' VAL . 0.4 OUTLIER -89.7 111.95 23.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.647 ' C ' HD12 ' A' ' 99' ' ' LEU . 3.4 t70 -117.7 -68.46 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.647 HD12 ' C ' ' A' ' 98' ' ' ASP . 10.6 mp -124.07 -106.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.455 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -89.61 172.08 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -86.8 64.0 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.555 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . 175.02 46.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.79 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 mmm-85 -138.83 165.2 27.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.026 HG23 HD11 ' A' ' 165' ' ' ILE . 1.1 pp -125.47 157.58 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.612 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -150.1 94.91 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.913 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.45 144.4 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 132' ' ' ARG . 9.2 mtpt -156.99 -178.5 7.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.535 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -127.26 -80.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.535 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -46.14 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.17 133.22 52.77 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 179.26 -97.34 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' GLY . 7.8 tt0 -37.39 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.374 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.28 -64.94 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -145.92 66.05 0.43 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -135.1 129.68 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -64.42 -41.29 96.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.812 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.17 -66.43 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.44 -43.89 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.9 ttt-85 -60.65 -34.86 74.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -73.77 -32.36 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.052 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.871 HG22 ' HA2' ' A' ' 73' ' ' GLY . 3.7 t -74.01 -41.14 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.618 HG22 ' CB ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -65.5 -41.22 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.39 -37.91 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -72.23 -48.04 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.835 HD12 HG12 ' A' ' 121' ' ' VAL . 14.2 mt -78.73 -20.42 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 80.25 2.48 89.17 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.618 ' CB ' HG22 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 69.84 117.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 0.824 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 12.8 mmtt -148.93 17.05 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 5.7 m-20 82.23 95.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 4.4 p90 -125.3 171.96 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -102.33 156.63 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -141.01 151.45 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 106' ' ' LEU . 9.5 t -137.64 86.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.612 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -89.79 145.37 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.999 HD13 HD12 ' A' ' 24' ' ' LEU . 3.5 mp -100.52 149.0 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.13 95.01 1.81 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.783 HD12 HG22 ' A' ' 150' ' ' VAL . 1.4 pp -105.8 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.521 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.11 -41.81 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.3 t80 -74.58 -22.73 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.783 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -80.4 -27.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 17' ' ' TYR . 3.4 mm? -90.94 39.07 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.0 mm-40 -60.63 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.2 t-20 152.13 47.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.819 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -69.25 32.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.651 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -11.87 -54.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.783 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.0 -81.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.819 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -43.03 -27.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.565 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 1.0 OUTLIER -79.43 -43.37 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.011 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -75.18 -30.77 60.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.641 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.3 -40.7 58.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.962 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.7 mm-40 -78.46 -35.85 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -48.66 -52.78 42.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 109.376 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.011 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -35.2 3.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.622 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -53.95 -53.32 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 110.487 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.026 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -76.76 -50.35 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.902 ' N ' HD13 ' A' ' 165' ' ' ILE . 17.2 m -44.29 -50.37 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -64.81 -46.09 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.538 ' HB3' HG13 ' A' ' 188' ' ' VAL . 2.1 mp0 -60.43 -42.99 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.869 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -67.6 -42.64 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.58 -39.8 68.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 4.5 m-20 -68.49 -45.03 73.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.222 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.914 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -56.73 -43.95 81.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.629 1.206 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -64.9 -53.53 44.99 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.4 pt-20 -59.15 -47.34 85.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.5 OUTLIER -62.74 -39.13 93.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.655 ' C ' HD23 ' A' ' 176' ' ' LEU . 4.6 tt -55.22 -46.99 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.883 HD13 ' HB1' ' A' ' 56' ' ' ALA . 4.0 mt -68.48 -29.91 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.4 OUTLIER -62.44 -41.36 98.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.5 -72.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.21 173.45 35.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.461 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 2.4 ptp -87.46 -16.82 33.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -44.43 -50.03 23.66 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.527 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.9 -38.42 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -64.13 -39.53 94.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' C ' ' A' ' 189' ' ' HIS . 1.6 tt0 -70.38 -40.02 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.921 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 4.4 m-20 -79.61 -23.13 42.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -91.43 -54.36 3.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.222 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.914 HG21 ' HB2' ' A' ' 172' ' ' ALA . 80.8 t -88.28 -56.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.644 ' CE1' ' NH2' ' A' ' 103' ' ' ARG . 23.9 t-80 -73.07 20.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.52 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.921 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -69.16 -41.14 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.615 ' CZ3' ' O ' ' A' ' 188' ' ' VAL . 44.1 p90 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 107.961 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -177.77 3.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -132.63 137.91 47.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.3 137.95 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.567 HG13 ' CG1' ' A' ' 91' ' ' ILE . 21.9 t -127.67 145.26 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.75 119.4 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.433 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -88.45 105.81 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.969 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -92.73 95.43 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -118.77 -151.01 8.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 17.9 t-20 -138.23 128.98 15.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.613 0.831 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -74.97 2.14 6.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.822 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -55.61 -159.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.405 1.065 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.8 -76.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -53.8 -37.35 63.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -18.79 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -29.06 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' C ' ' N ' ' A' ' 21' ' ' ARG . 21.7 mmt180 -53.98 -54.75 34.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.91 HG22 ' OD1' ' A' ' 153' ' ' ASN . 42.1 p -49.47 -14.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.357 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.801 ' NE ' HG22 ' A' ' 162' ' ' VAL . 0.0 OUTLIER 106.98 19.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 12' ' ' ASN . 14.7 t-160 -63.96 5.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.5 t-20 -125.78 43.19 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.587 HD13 ' NE ' ' A' ' 21' ' ' ARG . 1.3 tp -62.49 -66.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.505 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -36.42 -48.07 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.2 -35.51 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.797 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.2 t -65.84 -41.28 89.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 31' ' ' LEU . 38.8 t -69.64 -50.44 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.065 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -53.16 -48.55 67.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 t0 -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.02 -61.07 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.0 mt -50.94 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.69 97.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.375 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -53.86 -37.63 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -44.3 14.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.1 -168.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.85 -17.8 66.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.54 105.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.49 74.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.911 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -144.48 -155.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -165.85 -161.85 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.22 126.14 47.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -63.4 110.4 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -48.15 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.11 -65.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.986 ' CB ' HD11 ' A' ' 79' ' ' LEU . 4.2 p -70.14 -44.57 68.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.31 67.05 0.92 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.565 1.165 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' HIS . . . -173.0 164.37 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.6 mt-10 -77.68 148.28 35.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.305 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 6.4 m -146.09 112.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.911 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -114.65 109.52 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.97 127.62 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.85 127.93 5.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.96 107.06 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -175.2 -162.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.85 26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.24 51.41 56.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 177' ' ' ILE . 0.1 OUTLIER 171.64 153.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 0.803 . . . . 0.0 110.353 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.64 174.8 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.046 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 2.1 pp -173.92 107.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.49 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 40.9 t -98.97 109.56 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.065 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -99.63 113.97 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.455 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -126.93 163.19 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -178.45 121.88 0.25 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.682 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -157.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.1 mmt180 -80.44 -85.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.621 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -43.66 -22.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 108.317 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.722 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.3 m-85 63.92 -80.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.969 ' HA ' HD13 ' A' ' 10' ' ' LEU . 19.7 ttm -38.41 -96.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.55 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 31.9 t-20 -58.54 -37.55 75.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -54.79 -50.68 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.722 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -64.68 -32.19 73.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.937 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -58.89 -50.67 65.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 1.119 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -85.19 -35.18 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 0.805 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 19.6 mm100 -63.08 -46.26 88.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.7 mt -73.75 -49.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -31.79 -61.06 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 1.119 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -48.22 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.428 1.752 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.986 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.09 -41.46 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.682 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -66.97 -49.63 64.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -16.78 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -74.64 -43.89 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.47 -4.03 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t 49.01 46.02 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.858 HG22 ' ND2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -101.44 162.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -81.93 148.8 61.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.648 ' HA ' ' CE1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.98 -9.01 20.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.54 -6.91 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.858 ' ND2' HG22 ' A' ' 85' ' ' VAL . 27.0 p30 -112.12 -18.07 12.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.58 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -86.13 129.46 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.567 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -139.6 120.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.8 p -104.79 131.66 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.592 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -111.51 144.19 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.572 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 9.9 t-160 -156.92 171.7 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.623 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.52 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p30 -95.31 139.95 30.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.666 ' CG ' ' HE2' ' A' ' 115' ' ' HIS . 6.4 t0 -146.03 160.8 41.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -94.9 114.3 26.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.513 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -117.34 -76.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 98' ' ' ASP . 8.3 mp -130.06 -98.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.436 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -90.31 174.58 7.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.61 ' CE1' ' CG1' ' A' ' 137' ' ' ILE . 1.4 m-85 -94.22 90.05 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.739 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 150.2 41.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.921 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.8 mmm-85 -136.5 154.93 50.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.954 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.8 pp -116.81 160.42 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.4 tpm_? -149.08 104.96 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.802 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.0 139.54 38.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -152.68 171.33 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -95.64 -55.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -108.72 -57.78 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.35 -109.06 1.35 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.5 134.86 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -96.24 33.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.18 108.1 2.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.62 1.3 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.666 ' HE2' ' CG ' ' A' ' 96' ' ' ASP . 1.5 m80 -64.79 100.88 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 0.81 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.0 m-20 -58.61 -47.78 83.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.71 -55.15 24.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.416 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 11.2 mt -58.49 -49.44 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.88 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 116' ' ' ASN . 7.4 t -69.7 -39.18 77.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.637 HG13 HD12 ' A' ' 125' ' ' LEU . 3.6 t -65.51 -43.52 94.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.594 HG13 ' CB ' ' A' ' 127' ' ' THR . 75.8 t -73.31 -24.32 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.2 64.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.42 -45.16 10.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 1.092 HD13 ' CE2' ' A' ' 130' ' ' PHE . 21.2 mt -78.17 -23.36 47.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 72.08 5.83 62.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.594 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 78.43 119.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 0.722 . . . . 0.0 110.431 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 40.2 mmtt -136.83 16.07 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.657 ' O ' HD11 ' A' ' 108' ' ' ILE . 16.5 m-20 91.64 6.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 1.092 ' CE2' HD13 ' A' ' 125' ' ' LEU . 17.5 m-85 -43.25 167.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.464 ' HB2' HG22 ' A' ' 91' ' ' ILE . 38.7 mt-30 -108.04 158.17 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -142.06 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.8 t -132.8 86.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 105' ' ' ARG . 10.3 mtp180 -88.39 145.82 25.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.921 HG23 ' O ' ' A' ' 103' ' ' ARG . 4.0 mp -104.41 149.75 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.37 105.74 3.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.747 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -111.96 101.53 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.95 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.26 -32.45 62.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.747 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -65.31 -36.5 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.227 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.618 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -92.08 43.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.1 mm-40 -54.88 -48.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.91 ' OD1' HG22 ' A' ' 20' ' ' THR . 9.8 m-20 91.13 44.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.678 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 1.1 m-85 -70.22 18.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.2 OUTLIER -22.27 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.678 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -66.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.638 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -49.3 -43.76 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.704 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.2 mm-40 -72.63 -29.81 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.024 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -60.53 -41.64 94.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.657 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.89 -35.8 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 3.9 mm-40 -78.53 -33.62 47.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.801 HG22 ' NE ' ' A' ' 21' ' ' ARG . 1.9 t -54.94 -52.22 72.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.024 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -74.98 -34.13 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.476 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -70.0 -49.28 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.739 HD13 ' O ' ' A' ' 102' ' ' GLY . 4.6 tp -70.51 -59.83 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.596 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 92.1 m -44.88 -47.29 11.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -57.52 -46.19 84.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.419 ' HB3' HG13 ' A' ' 188' ' ' VAL . 0.7 OUTLIER -65.16 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.954 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.6 -37.36 86.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.03 90.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.0 OUTLIER -64.48 -43.82 92.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.051 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.95 -41.64 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 6.5 m -60.95 -52.97 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.49 -47.23 82.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.509 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.08 -41.52 90.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.7 tt -49.78 -49.05 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.474 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 9.6 mt -76.87 -24.35 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.28 -31.4 72.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.21 -71.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -161.86 176.84 38.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 185' ' ' GLN . 4.5 ptp -88.01 -20.27 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -45.65 -50.36 32.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.94 -39.61 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -38.07 89.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.97 -40.47 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.729 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -78.47 -20.56 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.1 ttt180 -96.68 -53.06 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.051 HG21 ' HB2' ' A' ' 172' ' ' ALA . 60.4 t -88.04 -58.05 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.569 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.4 t-80 -67.93 23.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -108.03 45.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 108.011 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.01 164.27 33.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -133.34 140.53 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.4 tt -105.89 149.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.976 ' HB ' HD22 ' A' ' 62' ' ' LEU . 10.9 t -135.66 142.73 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.4 119.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.47 107.55 3.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.531 1.145 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -87.04 103.66 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.53 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -140.21 5.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.572 1.17 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.633 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 1.1 m120 -136.35 126.43 16.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.2 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.644 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 66.35 134.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.936 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . 166.97 123.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -54.77 -26.86 37.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -92.63 -17.95 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.936 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . . . -72.13 -41.95 66.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' THR . 18.3 mmt85 -39.59 -46.1 1.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.538 HG21 ' O ' ' A' ' 151' ' ' LEU . 53.9 p -33.43 -38.7 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.619 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.2 ptp180 156.17 -9.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 1.2 t-160 -53.93 -3.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.664 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 27' ' ' VAL . 51.9 t30 -122.69 36.46 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.006 HD13 HD13 ' A' ' 135' ' ' ILE . 5.2 mt -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.837 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -53.06 -50.75 50.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.7 t80 -84.23 -24.72 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 23' ' ' ASN . 7.9 t -72.92 -41.07 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.47 HG11 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -82.58 -38.85 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -66.94 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.9 t0 -75.22 -48.8 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.71 -50.93 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -57.04 -57.33 13.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -61.97 -21.06 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -78.48 -28.14 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' NH1' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -97.86 -44.77 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -21.46 61.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.84 -5.15 82.12 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -32.77 148.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -134.65 39.92 2.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.854 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.09 -152.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -174.93 -163.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -116.89 113.11 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 1.113 ' HE2' ' HB3' ' A' ' 48' ' ' ALA . 10.0 p-80 -67.05 144.69 56.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 -49.99 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -37.81 -70.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.479 ' CB ' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -70.18 -42.83 71.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 95.91 90.0 1.78 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.113 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . 162.11 -174.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.625 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.5 tp10 -114.65 148.84 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.854 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 8.8 p -158.5 162.5 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.73 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -143.84 125.95 15.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.33 125.6 30.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -126.04 94.38 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' SER . 5.5 mtp180 -114.36 114.7 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.537 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER 164.42 -165.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.973 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 47.57 33.53 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.04 47.06 91.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.9 OUTLIER 171.99 161.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.21 169.38 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.056 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.5 pp -164.96 121.48 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 53.0 t -104.55 103.37 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.976 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -89.55 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -103.8 166.97 10.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HZ1' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -178.64 109.77 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.651 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.04 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.3 mmt180 -80.25 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.676 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -50.96 -15.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.622 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 11.2 m-85 60.79 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' CYS . 3.8 ttt -42.77 -94.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.71 -34.66 73.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.676 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -57.08 -43.57 82.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.651 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 41.1 t -66.42 -49.75 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.643 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -46.17 -52.62 10.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.386 1.054 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.979 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.92 -46.08 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.697 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 3.4 mm-40 -50.11 -48.04 53.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.781 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.6 mm -68.03 -47.44 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.9 -66.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.979 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.02 -46.81 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.812 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.41 -39.63 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.791 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.58 -51.09 54.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -72.77 -16.97 61.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.661 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -74.68 -44.44 50.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -80.51 0.29 34.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.2 p 54.1 47.09 24.04 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 86' ' ' ALA . 38.4 t -122.74 151.03 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.224 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -83.79 166.21 35.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.553 ' HB2' ' CA ' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.06 -19.53 17.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.15 -10.19 6.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 56.7 m-20 -110.28 -25.47 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.536 HG12 HD22 ' A' ' 6' ' ' LEU . 9.7 mt -87.23 137.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.905 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -135.87 143.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.819 HG22 ' CG2' ' A' ' 8' ' ' VAL . 22.6 t -120.83 132.38 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.996 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -110.07 147.48 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.763 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -153.74 175.3 13.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.554 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.781 ' CB ' HD12 ' A' ' 24' ' ' LEU . 1.9 p-10 -100.1 141.01 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -152.03 165.66 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.872 HD22 HG21 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -101.31 132.03 47.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -127.33 -78.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.455 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 1.3 mp -131.17 -86.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.4 mp0 -89.06 167.53 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 7.5 m-85 -91.73 66.67 5.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.52 44.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -135.66 163.34 30.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.735 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -124.08 164.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.8 tpt180 -146.38 105.99 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.807 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.98 132.48 53.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -152.62 172.89 15.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.759 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -118.62 -85.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.502 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -56.89 -85.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 35.67 -146.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -132.48 127.34 4.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.533 ' N ' HH22 ' A' ' 132' ' ' ARG . 0.1 OUTLIER -69.85 -17.49 63.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.51 -163.39 18.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.69 68.16 3.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.2 OUTLIER -110.46 128.51 55.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 120' ' ' SER . 1.5 m-80 -72.27 -35.34 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.91 -61.19 4.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.17 -50.7 68.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.8 ttm-85 -58.6 -42.36 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.349 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.6 t -66.62 -30.3 70.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.643 HG22 ' HA2' ' A' ' 73' ' ' GLY . 18.4 t -67.34 -44.52 87.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 127' ' ' THR . 41.6 t -71.89 -29.46 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.09 -41.5 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.61 -47.31 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.791 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -78.97 -24.49 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 63.41 8.47 25.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.771 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -101.79 -152.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.484 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 19.7 tptt 179.72 78.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -168.94 24.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.209 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CA ' ' HB2' ' A' ' 87' ' ' PRO . 24.6 p90 -90.27 169.44 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 91' ' ' ILE . 56.3 mt-30 -109.51 159.18 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.533 HH22 ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -136.21 147.2 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.996 ' HB ' HG22 ' A' ' 93' ' ' ILE . 6.1 t -136.42 84.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.0 mpp_? -88.41 145.98 25.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.006 HD13 HD13 ' A' ' 24' ' ' LEU . 2.7 mp -95.82 150.04 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.47 97.51 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -110.94 100.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.597 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.115 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.71 92.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.18 -26.54 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.872 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -71.39 -36.07 59.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.829 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -100.62 46.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -55.71 -88.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.5 t30 151.35 47.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.78 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.26 27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.565 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -24.97 -51.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.608 1.192 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.659 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -75.09 -66.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.78 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.83 -43.08 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.41 -31.33 65.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.005 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.93 -45.48 90.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.735 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -74.55 -36.24 63.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.994 ' O ' HG22 ' A' ' 165' ' ' ILE . 0.4 OUTLIER -75.19 -38.59 60.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.681 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -49.65 -50.95 63.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.005 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.95 -29.01 8.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -64.95 -59.37 4.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.071 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.994 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.56 -53.78 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.677 ' O ' ' N ' ' A' ' 170' ' ' ALA . 35.2 t -47.24 -47.54 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.368 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -57.83 -47.25 83.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.453 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 4.4 tm0? -65.84 -44.99 83.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.716 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.49 -37.56 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.196 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.31 -47.06 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.14 -43.36 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.663 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -60.96 -41.58 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.8 m -63.51 -53.12 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 177' ' ' ILE . 1.9 pt-20 -57.73 -42.52 84.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.56 ' CD2' ' HB2' ' A' ' 183' ' ' PRO . 1.2 tp -70.39 -41.27 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.727 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.5 tt -49.24 -47.32 46.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.51 HG22 ' O ' ' A' ' 174' ' ' GLU . 1.4 tt -71.45 -38.56 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.28 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -101.92 -76.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -167.38 -167.18 27.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -86.84 -14.64 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -50.12 -50.37 69.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 175' ' ' LEU . 18.5 Cg_endo -74.99 -38.04 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.805 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.2 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.615 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -67.47 -35.55 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.06 -22.89 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.02 -58.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.242 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -62.47 -47.08 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.615 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.03 16.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.561 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -140.1 85.77 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.516 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.2 Cg_endo -75.03 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.952 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -130.75 166.99 19.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.18 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -124.17 139.83 53.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.938 HG13 ' CG1' ' A' ' 91' ' ' ILE . 4.4 t -124.86 142.29 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.836 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.23 120.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' NZ ' ' A' ' 64' ' ' LYS . . . -100.92 110.32 3.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.779 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -93.93 108.73 20.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 23' ' ' ASN . . . -127.14 -140.18 5.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.9 128.69 18.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.3 Cg_endo -75.0 -24.62 12.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.54 -147.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -158.68 -68.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.381 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -46.02 -38.88 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.41 -20.2 20.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.43 -37.57 68.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -44.85 -25.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 18.4 p -76.79 24.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.846 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 1.4 mtt180 67.97 10.87 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.475 ' CE1' HD21 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -65.68 7.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.688 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.9 t30 -128.61 40.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.598 1.186 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.886 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -61.76 -45.7 92.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.53 -47.63 68.93 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.664 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 11.2 t80 -81.55 -25.02 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.736 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 23' ' ' ASN . 10.7 t -76.72 -38.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.696 HG23 HD12 ' A' ' 24' ' ' LEU . 2.6 t -76.73 -47.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.841 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -61.42 -44.72 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.61 1.194 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.2 t70 -66.12 -39.74 90.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.19 -58.27 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.73 -52.4 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -60.9 -20.76 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.26 -28.29 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -83.63 -41.88 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.95 16.02 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 43.53 27.68 0.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.528 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -45.9 173.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.03 58.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.754 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -79.61 -158.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.585 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.62 -163.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -144.33 150.92 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' ALA . 66.2 t60 -130.57 156.17 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' ARG . 2.3 pttp -62.87 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 36.89 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.361 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.509 ' CB ' HD21 ' A' ' 79' ' ' LEU . 33.0 m -66.48 57.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -125.65 -55.65 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.909 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.1 -169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 9.5 tp10 -76.41 149.3 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.754 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 11.0 p -173.06 158.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.612 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -143.63 126.77 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.72 127.21 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -117.56 118.45 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -141.55 91.35 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -170.05 -162.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 46.33 25.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.14 42.06 96.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 177.97 152.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.623 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -81.08 -177.12 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.057 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 174.11 114.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.92 106.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.841 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -92.38 108.27 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.542 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -113.56 170.11 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.628 ' HZ3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 177.71 118.84 0.18 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.909 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.94 -152.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.502 ' C ' ' N ' ' A' ' 68' ' ' TYR . 3.0 mmt-85 -90.06 -85.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -45.51 -22.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.86 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.5 m-85 61.85 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.664 ' HA ' HD13 ' A' ' 10' ' ' LEU . 53.8 ttm -27.67 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -70.79 -32.84 70.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.77 -32.71 72.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.6 t -78.83 -55.24 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.72 -50.93 8.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.13 -47.32 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.75 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -43.32 -51.37 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.852 HG23 HD21 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -67.78 -44.96 85.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.21 -70.42 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.994 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.96 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.46 -39.63 64.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.8 -50.48 56.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -16.98 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.645 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -75.74 -44.41 41.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -85.31 -12.1 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.05 51.69 11.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.793 ' CG1' HD11 ' A' ' 90' ' ' ILE . 9.8 p -95.28 168.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.466 ' H ' HG22 ' A' ' 85' ' ' VAL . . . -90.69 156.83 44.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.631 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.2 14.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.952 ' O ' HD12 ' A' ' 5' ' ' LEU . 28.3 m-20 -116.1 -23.67 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.793 HD11 ' CG1' ' A' ' 85' ' ' VAL . 84.6 mt -86.57 122.97 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.938 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -128.03 116.9 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.836 HG22 ' CG2' ' A' ' 8' ' ' VAL . 50.8 t -105.48 121.91 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.641 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.68 146.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.92 ' O ' HD12 ' A' ' 135' ' ' ILE . 12.8 t-160 -157.19 164.62 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.88 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -96.17 144.42 26.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.514 ' OD1' HD23 ' A' ' 97' ' ' LEU . 4.3 t0 -151.76 179.35 8.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.796 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.3 pt? -107.14 105.18 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.871 ' HB3' HD12 ' A' ' 99' ' ' LEU . 3.2 t0 -124.17 -68.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.871 HD12 ' HB3' ' A' ' 98' ' ' ASP . 4.5 mp -119.58 -125.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.583 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -80.3 -175.1 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -91.78 64.66 4.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.525 ' CA ' HG21 ' A' ' 165' ' ' ILE . . . 167.08 45.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.571 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.31 125.63 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.595 HG22 HG12 ' A' ' 135' ' ' ILE . 1.3 pp -98.32 153.91 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 134' ' ' ARG . 3.2 mmt180 -143.97 116.6 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.859 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.11 129.33 51.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -135.84 179.25 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.784 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.4 OUTLIER -119.24 -89.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -125.39 48.0 0.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.97 -68.48 1.6 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.53 100.81 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -41.09 135.35 1.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.68 54.54 3.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 38.05 45.01 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.91 138.67 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.39 -43.9 75.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.32 -48.59 84.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.41 ' CB ' ' HB2' ' A' ' 112' ' ' GLU . 14.7 mt -64.66 -48.27 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.477 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -59.67 -36.0 75.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.0 t -74.53 -29.31 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 125' ' ' LEU . 2.2 t -71.87 -43.86 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.592 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.96 -41.14 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.01 -35.13 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -77.47 -51.51 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 76' ' ' ILE . 22.5 mt -78.54 -21.13 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.592 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 77.59 0.6 73.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.448 ' C ' ' HG2' ' A' ' 128' ' ' LYS . 0.4 OUTLIER 77.02 120.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.666 ' HB2' ' CZ ' ' A' ' 130' ' ' PHE . 53.6 mmtt -146.67 15.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.784 ' O ' HD11 ' A' ' 108' ' ' ILE . 9.0 t0 87.66 20.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.747 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 75.2 m-85 -55.4 153.79 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.606 ' HG3' HD13 ' A' ' 108' ' ' ILE . 46.3 mt-30 -93.75 155.46 17.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -144.45 149.58 36.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 6.2 t -128.5 89.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 105' ' ' ARG . 9.1 mtp180 -88.75 145.46 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.92 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.3 mp -105.61 142.56 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.03 107.35 3.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.88 HG21 ' OD2' ' A' ' 95' ' ' ASP . 2.3 pt -100.92 154.06 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.628 ' C ' ' O ' ' A' ' 137' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.32 93.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 138' ' ' GLY . 9.7 t80 -78.16 -27.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -67.85 -32.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 22' ' ' HIS . 60.3 mt -105.02 44.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.709 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -63.21 -101.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 2.9 t-20 136.25 46.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.757 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.7 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.604 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -20.62 -51.95 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.734 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.04 -75.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.576 1.83 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.757 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.68 -38.12 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.703 ' HG2' HG23 ' A' ' 162' ' ' VAL . 1.0 OUTLIER -75.06 -32.76 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.3 -43.71 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.7 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.51 -34.57 54.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.638 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 5.5 tp10 -74.34 -37.36 63.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.703 HG23 ' HG2' ' A' ' 158' ' ' GLU . 0.9 OUTLIER -54.04 -52.6 66.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.638 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -62.78 -54.65 35.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 110.377 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.599 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -77.22 -53.37 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.721 ' O ' ' HB2' ' A' ' 170' ' ' ALA . 57.8 m -42.0 -44.84 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -69.78 -47.08 64.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -63.96 -45.86 87.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -71.31 -35.18 71.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.89 -48.97 74.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 29.3 m-20 -68.28 -40.53 81.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.911 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.2 m -64.56 -51.44 62.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.9 pt-20 -56.66 -42.99 79.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 183' ' ' PRO . 1.4 tp -69.36 -38.0 77.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.749 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.6 tt -52.97 -47.88 67.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.5 mt -81.41 -20.93 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.456 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -57.91 -60.88 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.59 -71.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -152.48 -177.18 25.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -11.58 35.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -51.43 -47.51 88.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -37.56 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.792 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -44.46 87.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.0 tt0 -68.03 -36.62 80.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.836 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 13.5 t30 -82.2 -21.96 36.18 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -102.1 -57.6 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.911 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.66 -51.49 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -73.32 8.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.836 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.24 94.43 2.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.24 18.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -131.87 137.84 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.658 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.14 138.16 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.796 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -126.4 140.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.718 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.07 122.35 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.324 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.99 107.6 3.26 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.947 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -94.2 93.4 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 0.703 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -119.2 -149.61 8.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 2.9 m120 -134.29 128.99 19.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.75 -166.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -143.82 -172.41 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.368 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.599 ' CE2' ' HG ' ' A' ' 151' ' ' LEU . 1.9 t80 -67.6 -22.57 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -43.6 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 20' ' ' THR . 4.4 tpt180 -44.73 -49.75 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.673 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 72.5 p -26.34 -44.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 110.396 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.55 -15.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 1.1 t-160 -53.29 -5.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.657 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.9 t-20 -103.64 18.47 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -53.62 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.61 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -31.16 -63.87 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.95 -36.83 85.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 111.052 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.5 t -58.85 -44.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.771 HG21 HD13 ' A' ' 93' ' ' ILE . 81.8 t -64.63 -48.97 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB1' ' HE3' ' A' ' 64' ' ' LYS . . . -55.99 -46.37 78.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -45.82 73.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.688 HD13 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.5 -62.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 5.9 mt -55.76 -33.02 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.858 ' HA ' HD22 ' A' ' 36' ' ' LEU . . . -71.34 -26.29 62.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.19 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -92.65 -43.44 9.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.093 HD21 ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -72.27 -34.7 68.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.64 ' N ' HD23 ' A' ' 36' ' ' LEU . . . 91.26 -41.15 2.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 1.093 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -26.25 137.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -95.81 74.07 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.869 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 18.8 m-85 -32.13 148.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -115.94 -175.41 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.77 139.85 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -138.48 151.84 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.54 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.6 mmmt -65.56 -171.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.6 ttt85 34.52 -144.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 1.046 ' O ' HD21 ' A' ' 79' ' ' LEU . 72.7 p -68.4 55.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -121.44 -58.1 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.868 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.73 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 0.741 . . . . 0.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.59 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.2 tp10 -86.98 148.15 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -173.83 163.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.869 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -165.55 147.07 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.065 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.11 127.41 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.579 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -122.14 109.65 1.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -109.76 115.84 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 0.728 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.89 -157.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.27 32.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 57.37 51.69 56.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HB2' HG21 ' A' ' 177' ' ' ILE . 0.1 OUTLIER 165.49 155.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.06 164.15 23.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -158.01 127.06 5.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.446 HG11 HD11 ' A' ' 6' ' ' LEU . 23.6 t -103.79 110.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.837 HD12 ' CE1' ' A' ' 40' ' ' PHE . 1.7 tm? -101.26 125.46 47.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.506 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -140.08 165.56 27.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.667 ' HE3' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.23 117.15 0.26 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.868 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.91 -157.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.478 ' C ' ' N ' ' A' ' 68' ' ' TYR . 82.1 mmt-85 -80.81 -83.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.659 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -49.98 -17.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.644 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.6 m-85 61.74 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.947 ' HA ' HD13 ' A' ' 10' ' ' LEU . 30.7 ttm -39.27 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.675 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 7.6 p-10 -62.4 -41.85 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.659 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 2.7 tp10 -50.93 -44.63 60.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.063 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.644 ' N ' ' O ' ' A' ' 68' ' ' TYR . 46.8 t -66.0 -45.71 80.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.053 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.848 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -46.52 -52.55 10.83 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.18 -50.31 11.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.611 ' OE1' ' HB2' ' A' ' 48' ' ' ALA . 7.1 mm-40 -46.39 -48.14 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.732 ' O ' ' N ' ' A' ' 80' ' ' ALA . 51.8 mt -68.89 -48.1 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.59 -66.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.9 -45.61 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.046 HD21 ' O ' ' A' ' 46' ' ' SER . 22.5 mt -54.36 -41.72 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.74 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.28 -45.21 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -77.69 -16.72 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.6 t80 -76.55 -39.59 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -79.35 -2.37 41.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t 48.98 45.5 22.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 89' ' ' ASN . 0.5 OUTLIER -120.79 163.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.36 154.25 59.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HG3' HG21 ' A' ' 127' ' ' THR . 18.5 Cg_endo -74.96 -10.08 21.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -11.94 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.692 HD21 HG22 ' A' ' 85' ' ' VAL . 15.6 p30 -108.77 -15.27 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -85.56 128.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.796 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -137.71 118.42 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 7.7 p -102.57 128.02 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.886 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -101.2 148.76 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.931 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.1 t-160 -155.19 -179.98 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.527 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.468 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 2.3 p30 -105.01 139.58 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.611 ' O ' HD13 ' A' ' 137' ' ' ILE . 4.4 t0 -148.23 155.78 41.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.67 115.09 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.89 -69.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.506 HD23 ' HG3' ' A' ' 100' ' ' GLU . 8.3 tp -131.5 -105.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HG3' HD23 ' A' ' 99' ' ' LEU . 14.2 mt-10 -88.23 179.12 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.662 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.26 75.11 5.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.59 40.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.72 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -132.39 157.33 44.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.027 HG21 ' HB2' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -114.31 163.22 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 13.0 tpt180 -151.05 100.59 2.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.853 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -101.67 129.61 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -147.56 165.37 30.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.746 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.4 tp -119.2 -86.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.746 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -58.06 -48.46 82.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.607 1.192 . . . . 0.0 111.063 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.447 ' HA3' ' NH2' ' A' ' 132' ' ' ARG . . . 40.06 -99.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -166.05 -56.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 2.3 tm-20 90.32 21.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 0.829 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.14 146.4 25.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.36 54.84 18.53 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.448 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -148.98 107.49 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.671 179.917 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 120' ' ' SER . 9.2 m-80 -66.45 -54.07 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 1.025 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -53.35 -60.98 7.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.542 HD13 ' CD ' ' A' ' 132' ' ' ARG . 9.6 mt -51.12 -43.73 61.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.512 ' O ' HG12 ' A' ' 122' ' ' VAL . 7.3 ttt180 -65.93 -33.9 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' ASN . 0.5 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 117' ' ' GLY . 4.0 t -72.87 -41.72 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.46 -43.45 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.38 77.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.182 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -70.27 -44.03 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.862 HD12 HG12 ' A' ' 121' ' ' VAL . 34.5 mt -76.56 -24.61 53.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 67.95 4.04 32.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.462 1.102 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.674 HG21 ' HG3' ' A' ' 87' ' ' PRO . 14.6 t -123.75 -176.54 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.462 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -154.67 48.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.5 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -116.05 -2.37 12.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.543 ' HB2' HG23 ' A' ' 90' ' ' ILE . 4.4 p90 -77.96 170.89 15.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.432 ' CA ' HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -126.04 168.91 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.542 ' CD ' HD13 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -141.05 150.28 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.886 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.7 t -122.99 87.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 7.0 mtp180 -86.01 146.92 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.931 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.4 mp -103.53 148.16 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 96' ' ' ASP . . . -93.57 98.85 2.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.662 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -106.99 101.6 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.78 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.02 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.308 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.64 -20.79 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.651 HG12 HD22 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -83.31 -31.45 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.344 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.651 HD22 HG12 ' A' ' 150' ' ' VAL . 1.6 mm? -92.64 42.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 20.5 mt-10 -70.81 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.582 ' C ' ' H ' ' A' ' 155' ' ' THR . 15.2 t30 150.91 47.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.791 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -71.02 30.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 110.985 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -20.54 -53.07 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.711 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.791 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.31 -39.05 13.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.666 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.0 OUTLIER -74.0 -32.75 63.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.0 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.41 -42.41 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.71 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.42 -35.55 54.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.993 ' O ' HG22 ' A' ' 165' ' ' ILE . 17.2 mm-40 -76.75 -36.58 57.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.666 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -52.63 -50.76 78.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.0 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.555 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -59.8 -54.13 49.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.993 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -74.62 -53.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.773 ' N ' HD13 ' A' ' 165' ' ' ILE . 51.3 m -43.8 -49.12 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -63.35 -47.19 83.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.584 ' HG3' ' CH2' ' A' ' 191' ' ' TRP . 0.7 OUTLIER -62.01 -42.03 98.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 1.027 ' HB2' HG21 ' A' ' 104' ' ' ILE . . . -65.64 -43.74 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.06 71.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -67.07 -44.15 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.055 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -56.88 -44.18 82.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 24.5 m -63.55 -52.58 60.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.57 -45.3 89.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.478 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.96 -38.42 86.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.705 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.1 tt -54.15 -50.23 67.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.513 HG21 ' HB2' ' A' ' 58' ' ' ARG . 32.6 mt -74.23 -25.0 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -43.32 99.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.0 -70.61 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -155.39 178.99 31.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.7 ptt? -91.25 -17.85 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -49.99 -45.87 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.08 -37.94 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.397 1.735 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.648 ' HA ' ' HB2' ' A' ' 189' ' ' HIS . 2.2 tt0 -70.3 -40.53 74.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.998 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 22.6 t-20 -82.74 -23.43 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.529 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -90.26 -54.33 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.055 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.2 t -81.52 -52.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.88 16.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.565 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.998 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -68.29 -37.19 80.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.383 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.584 ' CH2' ' HG3' ' A' ' 168' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 108.029 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.03 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -135.48 141.84 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.638 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -115.38 142.43 46.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.884 ' HB ' HD22 ' A' ' 62' ' ' LEU . 42.6 t -127.31 147.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 1.033 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.91 127.13 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 25' ' ' GLY . . . -97.22 114.13 4.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.792 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.87 96.43 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.727 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.91 -162.24 20.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.423 ' HB2' ' HB3' ' A' ' 22' ' ' HIS . 4.4 m120 -130.6 113.17 16.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.5 Cg_endo -74.94 2.99 5.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -44.73 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -179.05 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -45.82 -34.4 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 2.0 t80 -69.25 -36.93 77.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.6 -38.64 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt180 -43.5 -46.24 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.602 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 59.1 p -32.1 -36.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.765 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 150.33 -9.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -61.22 3.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.628 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.717 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.6 t30 -113.58 31.69 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.394 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 21' ' ' ARG . 1.4 mm? -66.93 -60.95 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . -36.84 -42.45 0.72 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.685 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 14.3 t80 -84.17 -40.23 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.4 t -64.79 -41.21 91.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.634 ' CG2' HD12 ' A' ' 24' ' ' LEU . 42.7 t -76.03 -48.16 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 25' ' ' GLY . . . -53.82 -43.91 69.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 17.0 t70 -69.1 -46.47 67.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.532 HD12 ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -51.9 -53.01 45.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.3 mt -55.41 -63.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -13.92 16.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.13 -18.59 21.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -102.85 -41.13 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -19.84 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.09 -6.87 78.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' THR . . . -39.28 142.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.74 58.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.623 ' CE2' ' CG2' ' A' ' 50' ' ' VAL . 2.4 t80 -78.23 -106.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -164.7 -167.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.647 ' HB2' ' CD ' ' A' ' 49' ' ' GLU . . . -148.85 159.94 43.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.372 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 25.8 t60 70.07 -95.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 50.47 -179.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -49.68 -41.05 42.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 p -47.33 -52.71 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.954 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.19 49.2 1.92 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.573 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 176.32 171.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.647 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 2.4 tp10 -78.98 148.26 32.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.244 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.675 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -152.48 134.91 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -145.16 106.98 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.726 HG22 HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -72.9 151.09 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.455 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.462 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -143.92 120.81 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -109.52 111.62 23.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 58' ' ' ARG . 3.2 t -177.47 -161.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 40.19 31.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 57.76 47.02 91.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER 172.84 152.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -81.14 164.35 22.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.783 HD12 HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -155.09 120.93 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.726 HG22 HG22 ' A' ' 52' ' ' THR . 44.8 t -101.13 108.09 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.884 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -93.98 109.88 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.675 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -122.92 165.8 16.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' NZ ' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.81 117.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -156.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.48 ' C ' ' N ' ' A' ' 68' ' ' TYR . 27.8 mmt180 -83.64 -86.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.575 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.34 -18.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 108.343 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.685 ' OH ' ' CD1' ' A' ' 26' ' ' PHE . 17.0 m-85 62.19 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.741 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -39.96 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.504 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 52.8 t-20 -63.15 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.413 1.071 . . . . 0.0 109.203 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 0.4 OUTLIER -58.21 -47.77 82.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.1 t -65.55 -47.34 76.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.58 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -46.52 -52.22 11.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 1.09 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -81.85 -35.81 28.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.638 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 3.1 mm-40 -62.03 -46.19 90.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.033 HD11 HG11 ' A' ' 8' ' ' VAL . 1.5 mp -71.06 -50.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.87 -63.36 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 1.09 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.99 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.85 -40.85 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.24 -47.4 70.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -16.26 59.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.6 t80 -75.88 -44.24 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.631 ' HB3' HG23 ' A' ' 85' ' ' VAL . 12.9 m-85 -81.69 -10.16 59.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.7 t 55.12 49.96 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' HB3' ' A' ' 83' ' ' TYR . 23.2 t -101.12 172.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.556 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -82.44 153.83 68.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.94 -32.72 5.25 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.69 2.9 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' LEU . 84.5 m-20 -104.46 -21.71 13.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 11.6 mt -87.48 133.68 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.726 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -137.62 119.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.904 HG22 ' CG2' ' A' ' 8' ' ' VAL . 48.2 t -104.53 130.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.224 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -108.89 147.49 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.967 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.8 t-160 -152.9 171.85 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.532 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 18.7 t70 -108.54 143.62 37.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.73 153.4 22.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.476 ' HA ' ' C ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -85.69 115.37 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.256 -179.898 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -108.31 -79.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -134.43 -71.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -89.02 163.05 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -96.23 39.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.483 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -170.4 46.1 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.689 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -134.13 171.58 14.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.118 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -124.48 165.61 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.82 95.68 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 1.024 HD12 ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -101.3 147.8 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 1.024 ' N ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -155.77 163.21 40.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -97.33 -54.68 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -153.77 67.67 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.88 -69.54 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 113' ' ' GLY . . . 165.29 96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.462 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 0.4 OUTLIER -41.24 -27.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 111' ' ' GLY . . . 43.21 -108.09 0.15 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.584 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -93.12 81.47 1.07 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 41.4 m80 -160.89 101.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.462 ' CB ' ' HE3' ' A' ' 69' ' ' MET . 6.8 m-20 -63.12 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.412 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -58.53 -65.74 3.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' A' ' 115' ' ' HIS . 9.1 mt -51.78 -45.4 63.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER -60.69 -35.75 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 -31.41 69.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -69.35 -44.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 126' ' ' GLY . 33.7 t -71.42 -26.66 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.81 64.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -84.04 -45.09 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.89 HD13 ' CE1' ' A' ' 130' ' ' PHE . 22.9 mt -78.56 -21.89 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.613 ' O ' HG22 ' A' ' 127' ' ' THR . . . 74.08 8.39 78.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 83.85 164.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.34 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.674 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 14.5 mmtt 155.83 -3.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.674 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 10.5 t0 138.69 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.89 ' CE1' HD13 ' A' ' 125' ' ' LEU . 31.0 m-85 58.39 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -111.74 158.46 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.29 147.7 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.901 HG22 ' HB2' ' A' ' 106' ' ' LEU . 11.1 t -134.41 81.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.7 146.62 26.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.967 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.5 mp -95.77 146.17 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.1 101.91 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.6 pp -118.72 79.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.0 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 152' ' ' GLU . 0.5 OUTLIER -72.9 -28.39 62.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.596 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -67.46 -41.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.477 ' HG ' HG12 ' A' ' 150' ' ' VAL . 84.2 mt -89.53 49.24 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -79.38 -112.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.589 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.9 t30 159.64 47.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.815 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -70.05 27.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.41 -52.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.702 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.91 -71.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.815 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.26 -42.71 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.7 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.7 mt-10 -74.3 -28.92 61.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.997 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.72 -45.32 89.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.938 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.737 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.89 -34.27 51.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 1.018 ' O ' HG22 ' A' ' 165' ' ' ILE . 11.6 tp10 -76.12 -37.18 58.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.7 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.5 -50.38 83.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.997 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -28.86 8.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.414 1.744 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -63.47 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.118 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.83 -54.02 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.675 ' N ' HD13 ' A' ' 165' ' ' ILE . 56.6 m -45.91 -46.33 15.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.3 tt0 -59.58 -44.71 93.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.437 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 32.3 tp60 -67.91 -40.25 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.902 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -71.87 -41.92 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.03 -43.03 81.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -67.14 -42.84 83.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.698 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -58.75 -40.84 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.2 m -63.69 -53.73 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.453 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 5.3 pt-20 -62.73 -39.28 93.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -44.15 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.748 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.2 tt -52.89 -43.94 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.6 mt -79.39 -23.61 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -62.01 -43.62 98.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -143.5 -72.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.239 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -155.25 177.88 32.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 17.8 ttt -89.58 -10.73 44.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.0 mp0 -49.25 -47.42 76.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.99 -38.14 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.715 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -40.68 93.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.646 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.7 tt0 -70.21 -37.64 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 1.002 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 54.5 t30 -82.87 -21.54 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.82 -56.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.715 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -72.21 -54.75 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -67.11 0.26 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 1.002 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.87 94.65 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.676 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.465 ' O ' ' NE ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -131.75 137.83 48.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -118.2 138.94 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.745 HG13 ' CG1' ' A' ' 91' ' ' ILE . 19.6 t -129.83 144.42 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.36 120.28 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.64 107.22 3.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.04 106.01 18.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.52 -143.73 5.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . 2.4 m-80 -135.07 128.97 18.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -173.77 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.386 1.73 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.624 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -34.1 115.54 0.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 167.71 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.43 -11.99 19.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 1.11 ' CE1' HD11 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -70.24 -18.18 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.33 -30.85 65.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 21' ' ' ARG . 20.1 mmt180 -37.99 -41.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.827 HG21 HD12 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -75.9 38.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.718 ' HD2' HG21 ' A' ' 162' ' ' VAL . 5.8 mmp_? 54.09 22.37 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -65.91 8.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.649 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.68 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 t-20 -131.55 44.72 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.573 HD12 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -63.42 -51.28 66.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.754 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -48.91 -44.61 31.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 7.4 t80 -84.06 -29.27 26.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 0.806 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.8 t -71.69 -36.49 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG22 HD12 ' A' ' 32' ' ' LEU . 7.8 p -80.53 -51.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.834 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.94 -33.99 67.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 23.2 t70 -72.85 -53.41 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.1 OUTLIER -53.43 -51.78 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.683 HD21 ' HB1' ' A' ' 170' ' ' ALA . 1.6 mt -55.14 -57.74 10.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.555 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -60.86 -18.03 53.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -83.0 -27.28 30.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -98.95 -42.81 6.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.43 -21.71 63.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.24 -7.4 81.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.555 ' HB3' ' CB ' ' A' ' 33' ' ' ALA . . . -32.92 147.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 0.791 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.86 76.46 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.705 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.55 -166.74 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -156.83 -163.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.926 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -112.27 141.74 45.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.063 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' HB2' ' CG2' ' A' ' 50' ' ' VAL . 14.9 t60 -110.22 110.19 20.94 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -51.13 27.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -40.36 -54.23 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.895 ' HB2' HD11 ' A' ' 79' ' ' LEU . 95.6 p -83.03 -46.4 12.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.552 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 98.02 66.03 0.89 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 172.61 173.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.8 mm-40 -84.72 147.85 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.597 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -144.0 124.76 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.705 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -115.29 111.17 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.44 124.66 32.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.43 131.6 5.59 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -141.18 98.09 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 110.243 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -164.43 -158.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.77 42.45 98.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HB2' ' CG2' ' A' ' 177' ' ' ILE . 1.6 mmt-85 178.93 155.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.03 177.95 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.3 pp -175.16 107.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 4.1 t -107.69 101.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.834 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -96.57 111.22 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.643 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -122.26 168.99 11.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.632 ' HZ1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -178.34 118.62 0.24 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.635 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -158.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.582 1.833 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 40.7 mmt-85 -84.26 -83.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.59 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.39 -19.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 9.3 m-85 61.01 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.739 ' HA ' HD13 ' A' ' 10' ' ' LEU . 34.4 ttp -33.28 -90.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 69' ' ' MET . 1.8 t-20 -69.6 -33.4 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.59 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.3 OUTLIER -58.8 -32.87 69.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.214 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -80.14 -51.68 8.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -47.87 -49.45 22.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.407 1.067 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.98 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.8 -44.08 42.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.793 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.587 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 2.5 tm0? -47.9 -50.08 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 7.4 mt -68.0 -45.31 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -67.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.98 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.11 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.895 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.46 -40.16 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.76 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.24 -49.64 59.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -16.5 61.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.701 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -76.96 -43.59 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -88.68 -13.46 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.7 t 53.57 48.73 21.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.912 HG22 ' ND2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -95.59 162.47 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -82.05 150.11 64.24 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.01 -4.53 15.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.53 -1.47 53.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.912 ' ND2' HG22 ' A' ' 85' ' ' VAL . 27.4 p30 -116.65 -16.89 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -86.74 124.85 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.745 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 114.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.9 p -102.87 123.77 56.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.763 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.4 OUTLIER -106.48 141.14 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.669 ' O ' HD12 ' A' ' 135' ' ' ILE . 11.1 t-160 -161.16 168.79 23.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.554 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.585 ' O ' ' CE1' ' A' ' 115' ' ' HIS . 1.0 OUTLIER -101.99 143.57 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 115' ' ' HIS . 8.8 t0 -137.55 152.82 49.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 150' ' ' VAL . 3.3 mp -83.97 85.03 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -132.54 -43.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.656 ' C ' ' H ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -135.76 90.39 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.829 ' N ' ' H ' ' A' ' 138' ' ' GLY . 16.8 tt0 -67.01 33.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.656 ' H ' ' C ' ' A' ' 99' ' ' LEU . 5.5 m-85 -104.11 -54.94 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.2 50.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 135' ' ' ILE . 1.3 tmm_? -115.07 161.1 18.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.743 . . . . 0.0 110.298 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.026 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.0 OUTLIER -109.01 149.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.7 ttp85 -138.88 104.93 5.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.994 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -103.23 141.14 36.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.643 ' N ' HD12 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -166.82 -168.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.991 HD11 ' O ' ' A' ' 129' ' ' ASP . 1.1 tp -115.69 -131.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.68 ' N ' HG23 ' A' ' 108' ' ' ILE . . . -95.45 63.99 1.35 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.74 25.02 1.8 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.49 -92.85 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 43.94 58.67 3.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 0.777 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.06 -95.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.89 64.89 0.59 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' ASP . 20.0 m170 -114.79 119.0 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -28.16 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.457 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -67.93 -57.37 8.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 122' ' ' VAL . 14.4 mt -56.44 -48.65 76.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -36.63 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -70.91 -30.34 66.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.893 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -68.42 -44.99 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.541 HG13 ' CB ' ' A' ' 127' ' ' THR . 12.2 t -72.94 -27.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.84 -42.57 12.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 121' ' ' VAL . 46.6 mt -79.34 -23.4 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.49 5.72 78.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.541 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 82.74 117.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.796 . . . . 0.0 110.418 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.66 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 15.0 tptt -137.36 6.08 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.991 ' O ' HD11 ' A' ' 108' ' ' ILE . 14.0 t0 89.74 19.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.227 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.726 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 67.1 m-85 -54.1 155.39 3.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.508 ' CG ' HD12 ' A' ' 108' ' ' ILE . 35.4 mt-30 -96.57 155.34 16.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.442 ' NH2' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -144.21 146.11 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.994 HG22 ' HB2' ' A' ' 106' ' ' LEU . 3.4 t -123.58 86.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -88.09 143.28 27.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.767 HG13 HG22 ' A' ' 104' ' ' ILE . 3.6 mp -104.18 150.62 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . -93.57 115.25 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.0 pp -154.62 77.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 0.824 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.829 ' H ' ' N ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.41 -42.02 90.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.443 ' O ' ' CD ' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -75.83 -29.99 58.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.967 ' HA ' HD21 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -64.82 -36.18 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.336 179.902 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 1.11 HD11 ' CE1' ' A' ' 17' ' ' TYR . 2.6 mp -101.91 41.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 151' ' ' LEU . 2.0 mp0 -29.12 -51.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 155' ' ' THR . 23.7 t30 67.57 30.55 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.73 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.7 OUTLIER -72.44 21.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.3 -52.51 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.73 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.06 -72.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 161' ' ' GLU . . . -46.36 -41.41 13.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.758 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.6 OUTLIER -75.53 -28.69 59.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -56.9 -45.41 82.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.719 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -80.19 -33.23 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.626 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.0 mm-40 -77.23 -34.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.758 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -57.11 -50.5 87.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -28.0 9.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.8 OUTLIER -58.31 -56.55 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.35 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.921 ' CG1' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -77.11 -47.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.597 ' N ' HD13 ' A' ' 165' ' ' ILE . 30.3 m -46.4 -44.88 17.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.574 1.171 . . . . 0.0 108.367 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.2 tt0 -69.54 -44.52 70.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.12 -46.85 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 1.026 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.93 -41.65 86.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.683 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -55.95 -42.09 75.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.2 t0 -66.33 -41.88 88.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.775 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -57.72 -40.54 79.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.6 m -63.88 -54.24 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.394 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.617 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -61.04 -34.28 74.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.617 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -73.28 -46.02 52.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.9 tt -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.371 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.498 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 15.9 mt -82.23 -26.3 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 3.8 tm-20 -58.3 -45.0 88.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -147.8 -71.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -150.73 177.92 28.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -92.82 -5.7 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -52.34 -45.53 94.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.97 -37.24 2.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.58 -38.97 88.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.626 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.0 tt0 -70.78 -37.8 73.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 1.014 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 50.3 t30 -83.63 -21.33 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.12 -57.0 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.775 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 0.5 OUTLIER -70.05 -58.13 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.626 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -61.84 -10.6 9.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.642 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 1.014 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -129.11 90.47 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.447 ' CH2' HG23 ' A' ' 164' ' ' THR . 3.0 m95 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.044 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.456 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.99 148.5 35.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.592 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.57 136.21 51.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.662 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -103.81 143.91 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 62' ' ' LEU . 21.2 t -120.93 142.18 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -137.41 117.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.01 111.51 3.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.805 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.15 95.07 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 68' ' ' TYR . . . -113.02 -147.88 10.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' HIS . 2.8 m120 -136.92 118.73 11.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.0 130.51 13.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.801 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 46.25 -170.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.415 1.072 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 82.34 139.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.06 -8.03 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.929 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -87.39 -16.76 34.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -74.28 -37.66 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -60.52 -52.64 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 17' ' ' TYR . 13.7 t -30.32 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.692 ' NH1' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER 145.36 -3.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.7 t-160 -65.43 8.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 21' ' ' ARG . 20.7 t-20 -118.39 21.78 12.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.967 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -49.74 -45.54 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.65 -60.66 4.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 21.2 t80 -77.55 -24.3 49.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 0.789 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG23 ' OD1' ' A' ' 23' ' ' ASN . 2.0 t -69.07 -42.03 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.661 ' HB ' HD11 ' A' ' 93' ' ' ILE . 3.0 t -74.6 -51.02 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.579 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -56.99 -34.51 68.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ALA . 5.5 m-20 -67.82 -53.06 29.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.69 -56.12 13.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -60.15 -32.4 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.721 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -75.25 -24.51 57.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.34 -27.57 34.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -42.94 14.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 1.1 mp -72.24 -43.66 64.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.07 -8.42 79.85 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.16 146.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.33 82.1 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.886 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 59.6 m-85 -61.45 -178.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -154.12 -167.96 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.79 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -174.01 140.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.504 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -133.18 -175.43 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.567 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 -175.77 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER 48.89 -105.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 45' ' ' ARG . 74.4 m -106.79 45.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -114.12 -65.28 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 50.19 -177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.79 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 2.7 tp10 -81.37 148.31 29.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.6 p 177.85 166.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.886 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -169.65 146.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.79 127.44 32.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -121.46 108.02 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.11 122.99 48.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 172.12 -163.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.07 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.39 42.05 99.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 178.63 153.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 1.7 m -80.59 164.45 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -161.56 117.88 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 6' ' ' LEU . 79.2 t -100.33 103.83 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.636 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.9 tm? -91.7 114.96 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -126.48 174.14 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER 175.62 117.63 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.318 -179.915 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.01 -154.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.507 ' C ' ' N ' ' A' ' 68' ' ' TYR . 77.6 mmt-85 -80.73 -84.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.695 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -49.6 -16.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 108.321 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.67 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.8 ' HA ' HD13 ' A' ' 10' ' ' LEU . 14.7 ttm -38.56 -94.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.685 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 8.3 t30 -59.36 -41.55 89.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.695 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 1.1 tp10 -50.66 -45.91 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.6 t -64.21 -47.32 80.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.972 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -45.61 -53.81 8.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 1.003 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.28 -49.32 13.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 110.351 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.587 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 12.7 mm-40 -47.6 -48.77 28.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.737 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.0 mm -67.2 -46.35 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.99 -69.3 0.1 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 1.003 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.93 -47.89 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -51.71 -40.8 60.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.737 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.27 -50.84 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -16.76 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.712 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -75.31 -41.22 57.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.431 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.3 m-85 -79.36 6.19 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t 53.01 46.73 26.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.046 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' TYR . 38.1 t -129.95 151.07 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.36 155.39 69.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.3 Cg_endo -74.99 -13.42 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.48 -10.44 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 32.7 m-20 -110.49 -1.96 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 87' ' ' PRO . 51.3 mt -95.69 136.1 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.534 ' CG2' ' CD ' ' A' ' 131' ' ' GLN . 0.8 OUTLIER -130.77 118.02 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.553 HG12 ' CG ' ' A' ' 132' ' ' ARG . 9.9 p -99.46 121.82 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.661 HD11 ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -101.48 146.33 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 1.021 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.6 t-160 -161.17 -179.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.475 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.5 p30 -112.61 139.68 48.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' HG13 ' A' ' 137' ' ' ILE . 13.6 t0 -144.79 150.09 36.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -80.61 103.39 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.7 -80.53 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.93 -76.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -86.94 165.08 16.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.692 ' CE1' ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.92 37.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.51 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -166.0 51.24 0.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.661 ' NE ' ' CD1' ' A' ' 191' ' ' TRP . 0.1 OUTLIER -135.88 173.2 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 110.363 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.048 HG23 HD11 ' A' ' 165' ' ' ILE . 0.8 OUTLIER -123.44 159.06 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 134' ' ' ARG . 6.7 ttt180 -149.51 91.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.819 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.52 138.81 40.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.927 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 4.8 mtpt -144.73 -179.65 6.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.76 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.2 tp -99.31 -95.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.76 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -133.67 58.27 0.69 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.502 1.127 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -143.24 56.15 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -161.12 -102.58 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER 63.34 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 34.58 80.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 115' ' ' HIS . . . 82.22 -123.67 6.17 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 114' ' ' GLY . 23.1 m80 51.23 101.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.99 -31.29 62.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.932 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -69.67 -71.0 1.05 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 118' ' ' LEU . 5.9 mt -49.35 -42.37 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' HG12 ' A' ' 122' ' ' VAL . 5.7 ttt180 -63.17 -48.09 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.0 t -57.62 -30.32 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.955 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.978 HG12 HD12 ' A' ' 125' ' ' LEU . 3.1 t -75.85 -39.78 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.744 HG23 ' CE2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -59.39 -45.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.422 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -75.26 -38.74 60.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.689 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.37 -50.46 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.978 HD12 HG12 ' A' ' 121' ' ' VAL . 17.7 mt -82.59 -21.62 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.722 ' O ' HG22 ' A' ' 127' ' ' THR . . . 73.77 9.63 79.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.7 OUTLIER 62.87 136.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 110.378 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 2.0 tmtt? -164.65 27.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.625 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 16.5 t0 93.78 22.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.744 ' CE2' HG23 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -54.86 170.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.37 1.044 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.534 ' CD ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.89 161.75 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.647 ' NH2' ' CE1' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -142.65 154.61 44.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' A' ' 106' ' ' LEU . 9.2 t -130.24 84.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mpp_? -83.72 161.86 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.021 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -112.87 148.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.21 102.15 2.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.1 pp -126.32 75.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.979 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.06 -42.63 94.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.467 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 2.0 t80 -76.92 -21.18 55.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.655 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -74.35 -34.29 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.614 HD13 ' HE2' ' A' ' 17' ' ' TYR . 1.1 mp -110.33 45.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.553 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 1.1 mm-40 -68.42 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.591 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -177.23 45.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.644 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.7 OUTLIER -70.71 26.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.591 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.9 OUTLIER -30.11 -49.6 0.33 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.373 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.644 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.98 -62.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -51.09 -46.47 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.711 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.09 -28.43 63.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -58.11 -46.04 86.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.733 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.4 -34.36 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.971 ' O ' HG22 ' A' ' 165' ' ' ILE . 1.8 tt0 -76.1 -37.11 58.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -53.08 -50.43 82.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.0 -28.79 8.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.602 HG22 ' N ' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -61.92 -58.88 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.048 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -69.26 -53.41 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.714 ' N ' HD13 ' A' ' 165' ' ' ILE . 55.7 m -44.22 -45.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.493 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 28.7 tp60 -66.79 -43.55 83.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.856 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.22 -46.56 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 39.3 m-20 -67.75 -42.01 82.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.723 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -60.68 -39.54 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -63.65 -53.12 56.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 2.1 pt-20 -60.57 -41.87 95.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -69.8 -41.3 75.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.7 tt -51.97 -48.42 64.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.22 -24.92 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.88 -48.58 77.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.41 -72.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.301 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -159.31 -169.89 23.2 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -90.65 -11.61 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -54.32 -44.88 99.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.02 -37.41 2.03 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.4 1.737 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.784 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.38 -44.85 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.602 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.5 tt0 -68.49 -35.9 78.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.763 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 24.4 t-20 -81.75 -22.1 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.29 -58.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.814 HG22 HD11 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -62.94 -49.87 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.602 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.1 OUTLIER -75.01 9.05 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -137.64 89.1 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.661 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.445 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.05 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -135.44 139.84 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -123.11 139.57 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.861 HG13 ' CG1' ' A' ' 91' ' ' ILE . 12.1 t -132.9 142.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -131.76 116.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.43 107.29 3.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -92.99 108.58 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.766 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.59 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -139.43 5.22 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.549 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 2.1 t-20 -135.56 126.63 17.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.99 -39.04 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -68.01 -130.53 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.818 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -164.75 -48.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 0.705 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -43.64 -45.69 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.875 ' O ' HG22 ' A' ' 20' ' ' THR . 0.4 OUTLIER -90.5 -18.63 24.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.818 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -71.27 -25.0 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -52.13 -40.45 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 17' ' ' TYR . 4.4 t -76.81 25.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.828 ' NE ' HG21 ' A' ' 162' ' ' VAL . 8.8 mmt180 65.9 21.91 11.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' GLY . 8.8 t-160 -68.63 11.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.59 ' HA ' ' CA ' ' A' ' 11' ' ' GLY . 64.6 t30 -125.31 26.75 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -54.05 -46.53 71.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.91 -59.17 6.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.5 t80 -75.05 -25.76 58.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.8 t -70.36 -38.96 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -79.07 -51.49 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.062 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.66 -32.55 63.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 3.3 m-20 -76.31 -56.8 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -46.04 -47.97 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.05 -47.74 76.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.177 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.783 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -60.38 -44.96 95.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.99 78.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' NH1' HD12 ' A' ' 31' ' ' LEU . 8.8 mpt_? -72.84 -49.82 27.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -83.81 19.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 67.96 -56.86 0.39 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.783 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 68.79 145.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.17 82.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 1.04 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -138.45 -155.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -154.28 -165.53 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.78 126.06 47.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.531 ' HB2' HG11 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -59.86 110.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.634 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -41.2 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -46.19 89.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.848 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -73.93 -46.71 42.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.41 60.36 0.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.172 . . . . 0.0 111.042 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.56 166.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.568 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 25.8 tp10 -71.9 150.68 43.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 21.6 m -146.04 114.38 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.04 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.13 107.99 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.815 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.34 126.4 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.79 -161.08 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.8 131.71 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.567 ' HB3' HD13 ' A' ' 177' ' ' ILE . 0.6 OUTLIER -179.3 -166.38 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 36.4 33.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ARG . . . 59.5 54.97 33.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' GLY . 1.4 mmt-85 160.01 158.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.06 170.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 pp -151.36 122.75 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.815 HG22 HG22 ' A' ' 52' ' ' THR . 24.9 t -105.95 99.13 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.062 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -101.51 101.94 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -119.96 176.23 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.713 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.27 123.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.7 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 -160.24 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 53.1 mmt-85 -77.07 -83.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.602 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.47 -18.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 108.33 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.7 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 19.9 m-85 59.53 -82.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.641 ' N ' HD13 ' A' ' 10' ' ' LEU . 1.3 ttm -37.29 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.646 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 47.9 m-20 -70.66 -45.26 65.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.602 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.4 OUTLIER -50.46 -37.81 40.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.685 ' N ' ' O ' ' A' ' 68' ' ' TYR . 92.6 p -70.47 -54.21 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.868 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.9 -51.43 4.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.925 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.31 -53.62 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 14.7 tp60 -42.19 -49.45 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.868 HG22 HD21 ' A' ' 125' ' ' LEU . 20.1 mt -66.99 -46.49 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.04 -67.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.925 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -46.5 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.848 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.02 -40.76 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.748 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.86 -49.68 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -17.03 61.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.711 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.1 t80 -75.45 -44.62 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -81.82 -12.44 58.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.0 t 55.08 47.52 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.537 HG22 ' OD1' ' A' ' 89' ' ' ASN . 4.5 p -107.48 158.36 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.547 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -80.2 156.51 74.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.658 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.03 -8.89 20.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.27 -16.12 62.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.791 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -108.76 0.17 20.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.667 ' CD1' HD22 ' A' ' 6' ' ' LEU . 4.6 mm -97.89 123.02 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.861 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -137.43 118.13 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 7.8 p -107.57 124.7 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.584 ' CD1' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -102.07 144.43 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 109.234 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.768 ' O ' HD12 ' A' ' 135' ' ' ILE . 11.2 t-160 -156.5 -178.39 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.704 ' OD2' HD21 ' A' ' 97' ' ' LEU . 5.0 p-10 -109.14 141.24 41.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.4 t0 -107.62 95.41 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.994 ' HB2' HG22 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -79.08 5.02 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -37.6 45.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -137.03 92.61 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.689 ' HA ' ' CA ' ' A' ' 137' ' ' ILE . 2.3 tm-20 -81.41 84.53 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CE1' ' HB2' ' A' ' 99' ' ' LEU . 1.8 m-85 -107.06 -12.62 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 136' ' ' GLY . . . 79.22 32.29 39.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.765 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp180 -124.15 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 0.813 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.828 HG23 HD11 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -109.1 160.61 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.36 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -150.0 109.26 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -121.54 130.26 53.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -149.4 178.04 9.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.546 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -111.32 -55.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.546 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -79.0 -72.31 1.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.24 -93.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . 135.62 60.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 118' ' ' LEU . 13.6 mt-10 64.43 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 0.774 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 92.19 50.23 2.66 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 52.19 71.04 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.425 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 25.5 m-70 -155.17 109.22 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.72 -28.56 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -67.04 -56.15 13.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.751 ' O ' HG12 ' A' ' 121' ' ' VAL . 3.5 mt -56.81 -52.43 65.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.447 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.6 ttt-85 -59.02 -32.14 69.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 14.8 t -73.47 -27.78 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.868 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.7 -43.15 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.884 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -65.77 -47.23 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.461 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -66.82 -37.96 85.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -75.7 -27.84 58.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.868 HD21 HG22 ' A' ' 76' ' ' ILE . 15.6 mt -85.01 -23.63 28.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.12 3.0 55.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.884 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -119.59 -157.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.372 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -177.16 62.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.469 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 13.2 m-20 -143.5 14.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.767 ' CZ ' HD13 ' A' ' 125' ' ' LEU . 39.0 m-85 -86.69 152.15 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.646 ' NE2' HG22 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -101.08 162.81 12.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -143.43 150.12 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 106' ' ' LEU . 24.4 t -123.44 85.6 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -90.99 144.21 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.6 mp -104.59 147.53 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -89.0 97.34 2.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.689 ' CA ' ' HA ' ' A' ' 100' ' ' GLU . 1.8 pp -147.07 -164.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.562 ' C ' ' HB2' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.08 -40.49 85.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.497 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 1.3 m-85 -78.63 -24.37 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.994 HG22 ' HB2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -66.14 -43.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.854 HD22 ' CD2' ' A' ' 17' ' ' TYR . 1.9 mt -112.12 36.98 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -53.93 -89.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.638 ' C ' ' H ' ' A' ' 155' ' ' THR . 15.2 t30 154.03 49.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.867 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -67.56 26.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.638 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -33.57 -47.14 0.64 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.683 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.99 -62.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.867 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -50.54 -47.52 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.8 mt-10 -70.84 -29.08 65.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.021 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.84 -45.58 86.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.215 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.677 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.17 -36.35 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.872 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.7 mm-40 -75.49 -36.84 60.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.828 HG21 ' NE ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -51.1 -53.04 52.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.021 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -26.65 10.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.619 HG23 ' CH2' ' A' ' 191' ' ' TRP . 0.4 OUTLIER -62.59 -58.31 8.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.41 -54.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 170' ' ' ALA . 68.8 m -42.8 -44.73 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.239 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -66.52 -45.57 79.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.513 ' HG2' ' CD2' ' A' ' 191' ' ' TRP . 10.6 tp60 -65.85 -45.02 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.767 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -71.28 -38.4 71.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.09 -47.26 75.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -67.57 -41.96 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.643 ' HB2' HG23 ' A' ' 188' ' ' VAL . . . -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -63.92 -52.18 61.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.7 OUTLIER -58.11 -47.8 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -62.78 -36.23 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.655 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.5 tt -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 55' ' ' SER . 65.2 mt -65.05 -30.96 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.389 1.056 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -57.02 -66.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 110.246 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.63 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.87 -174.9 28.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.433 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 19.7 ptp -90.61 -9.94 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 7.7 mm-40 -53.37 -43.74 96.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.01 -36.83 2.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.745 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.66 -45.4 90.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.5 tt0 -68.54 -36.31 78.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.96 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.98 -22.95 36.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.6 ttt180 -100.44 -58.72 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.745 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -64.86 -48.81 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -79.5 17.67 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.66 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.96 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -103.41 -42.37 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CH2' HG23 ' A' ' 164' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.509 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.01 140.63 25.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.831 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -106.49 136.67 45.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.64 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -104.58 143.51 32.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 91' ' ' ILE . 2.8 m -132.61 141.32 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -129.92 123.0 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.64 113.17 4.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.839 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.48 103.04 15.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.241 -179.899 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.486 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.27 -149.47 10.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 22' ' ' HIS . 12.1 t-20 -137.45 117.8 10.5 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.433 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -1.66 11.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.51 -138.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.48 -86.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 0.703 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -51.49 -21.88 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.986 ' O ' HG22 ' A' ' 20' ' ' THR . 0.1 OUTLIER -99.45 -23.37 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.64 -25.34 62.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.442 ' HB3' ' ND2' ' A' ' 153' ' ' ASN . 1.5 tpt180 -68.46 -25.01 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.986 HG22 ' O ' ' A' ' 17' ' ' TYR . 6.3 t -72.28 7.22 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.624 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 85.39 11.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -69.55 11.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.629 ' HB3' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -124.85 18.73 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.104 HD23 HD13 ' A' ' 135' ' ' ILE . 1.2 tp -40.0 -46.72 2.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -52.16 -59.55 8.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -75.32 -20.19 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.629 HG23 ' HB3' ' A' ' 23' ' ' ASN . 1.9 t -76.11 -39.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.186 . . . . 0.0 109.251 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.521 HG11 ' CD1' ' A' ' 93' ' ' ILE . 4.2 p -80.16 -37.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.013 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -69.18 -35.15 75.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.578 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 11.9 t0 -74.32 -44.56 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -56.73 -51.27 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.17 61.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -78.13 -29.63 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -96.67 -44.46 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -32.97 72.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.55 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 89.25 -3.35 84.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . -42.34 172.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 69.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.177 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.792 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -62.13 -169.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -125.62 176.6 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -130.34 140.99 50.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' ALA . 49.2 t60 71.66 -75.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.77 -77.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -149.51 -66.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.976 ' CB ' HD11 ' A' ' 79' ' ' LEU . 13.9 t -50.23 -26.64 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.59 56.64 1.02 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.586 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -167.87 176.0 6.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.693 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.3 mm-40 -89.81 149.36 22.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.809 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -146.41 115.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -106.9 106.6 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.827 HG22 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -99.76 122.55 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.73 -162.24 10.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.1 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 1.5 mtt180 -154.02 113.65 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 5.3 m -143.41 -178.41 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.946 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.705 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 44.21 25.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.2 50.59 38.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.13 156.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.737 . . . . 0.0 110.294 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.5 m -69.22 163.81 24.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.93 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.6 pp -154.68 121.77 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.827 HG22 HG22 ' A' ' 52' ' ' THR . 77.7 t -109.23 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.013 HD11 ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -92.46 109.21 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -120.4 171.09 8.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.619 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -177.01 120.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.636 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.04 -156.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 22.2 mmt85 -83.4 -86.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -45.79 -20.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.75 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.8 m-85 62.92 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.767 ' CA ' HD13 ' A' ' 10' ' ' LEU . 57.4 ttp -35.76 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.453 ' N ' ' HG2' ' A' ' 69' ' ' MET . 7.9 m120 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -59.2 -42.11 90.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.212 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.75 ' N ' ' O ' ' A' ' 68' ' ' TYR . 36.3 t -69.67 -52.41 26.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.597 1.186 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.975 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.81 -52.97 14.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.36 -45.47 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 6.7 tp60 -45.02 -49.22 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.726 ' O ' ' N ' ' A' ' 80' ' ' ALA . 15.8 mm -68.63 -47.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.85 -68.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -74.93 -46.73 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.976 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.37 -40.46 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.64 -49.39 59.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -16.87 59.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.793 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -77.64 -43.17 32.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.771 ' HB3' HG23 ' A' ' 85' ' ' VAL . 12.1 m-85 -84.95 -16.71 40.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t 51.27 45.78 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.771 HG23 ' HB3' ' A' ' 83' ' ' TYR . 84.7 t -101.11 173.51 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.646 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -73.04 123.96 90.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.804 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.3 Cg_endo -75.04 -13.03 21.44 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.27 0.87 15.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.831 ' OD1' HD23 ' A' ' 5' ' ' LEU . 7.2 m-20 -113.28 -11.74 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 87' ' ' PRO . 13.8 mt -90.71 133.53 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.963 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -137.28 142.88 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.814 HG22 ' CG2' ' A' ' 8' ' ' VAL . 23.1 t -119.44 127.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.637 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -110.7 142.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.725 ' O ' HD12 ' A' ' 135' ' ' ILE . 10.3 t-160 -158.05 176.95 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.601 ' CB ' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -100.37 142.11 32.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 137' ' ' ILE . 8.7 t0 -148.2 150.7 34.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.88 115.01 22.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.445 ' C ' HD12 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -114.37 -84.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.372 179.924 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 98' ' ' ASP . 5.0 mp -137.45 -70.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.4 tm-20 -86.03 164.49 17.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -94.82 22.48 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.432 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -155.08 54.62 0.42 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.823 ' O ' HG23 ' A' ' 135' ' ' ILE . 5.0 tmm_? -134.61 156.33 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.005 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.3 pp -122.3 156.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 134' ' ' ARG . 16.1 ttt180 -146.17 113.15 6.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.818 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.1 132.9 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.45 -179.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.795 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -112.73 -83.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.478 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -94.05 -81.22 1.51 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.4 140.49 0.25 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.14 -162.06 23.57 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 132' ' ' ARG . 3.6 tm-20 62.68 81.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.47 -81.61 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.12 67.86 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.37 129.35 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.567 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -37.6 74.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -63.99 -64.53 3.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.443 HD11 ' HG2' ' A' ' 134' ' ' ARG . 10.5 mt -53.01 -45.18 67.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 122' ' ' VAL . 6.1 ttt180 -64.74 -34.8 79.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.2 t -64.82 -36.64 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 1.002 HG12 HD12 ' A' ' 125' ' ' LEU . 5.8 t -74.51 -39.48 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.545 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -63.35 -47.42 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.21 -41.66 73.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.681 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -63.69 -46.12 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 1.002 HD12 HG12 ' A' ' 121' ' ' VAL . 13.3 mt -79.4 -21.91 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 127' ' ' THR . . . 71.13 12.87 72.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.67 ' HA ' ' CZ ' ' A' ' 130' ' ' PHE . 0.6 OUTLIER 89.13 120.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.398 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.594 ' HB3' ' CG ' ' A' ' 87' ' ' PRO . 23.1 mmtt -152.88 19.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.76 ' O ' HD11 ' A' ' 108' ' ' ILE . 1.1 m-20 63.02 23.46 14.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 1.202 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.791 ' HD2' HD13 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -48.36 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.588 ' OE1' HG22 ' A' ' 91' ' ' ILE . 83.7 mt-30 -116.26 155.87 27.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -141.38 147.94 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.257 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 106' ' ' LEU . 18.8 t -140.24 83.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -91.13 144.2 25.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.104 HD13 HD23 ' A' ' 24' ' ' LEU . 2.7 mp -94.29 148.91 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 98' ' ' ASP . . . -99.47 91.53 1.06 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.8 pp -110.76 77.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.128 . . . . 0.0 111.006 179.959 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 1.5 t80 -75.79 -35.13 60.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -60.22 -33.73 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.663 HD13 ' HE1' ' A' ' 17' ' ' TYR . 28.4 mt -91.0 30.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.717 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.3 mm-40 -52.92 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.717 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.8 t-20 134.91 46.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.869 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -69.99 33.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.824 HG23 ' HD3' ' A' ' 156' ' ' PRO . 0.1 OUTLIER -16.28 -52.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.488 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.824 ' HD3' HG23 ' A' ' 155' ' ' THR . 18.5 Cg_endo -75.07 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.869 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -44.85 -36.68 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.7 mt-10 -77.88 -31.51 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -57.86 -44.0 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.692 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -80.48 -33.63 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.591 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 2.9 tp10 -75.62 -34.87 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.224 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -58.1 -51.94 78.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -74.97 -24.63 12.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -59.89 -57.77 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.942 ' CG1' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -76.86 -45.05 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.872 ' N ' HD13 ' A' ' 165' ' ' ILE . 31.6 m -48.8 -45.44 40.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.262 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -69.38 -44.95 70.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.619 ' CD ' ' CH2' ' A' ' 191' ' ' TRP . 0.2 OUTLIER -61.88 -41.81 98.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.22 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 1.005 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.63 -42.15 78.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.25 -41.77 72.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -67.81 -44.89 76.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.094 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.75 -42.95 85.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.5 m -64.6 -52.25 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.48 -46.38 83.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.486 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.4 tt -54.27 -49.86 68.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.705 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 15.3 mt -73.91 -25.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.85 -29.68 68.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.4 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.43 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -162.95 174.59 39.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -88.06 -19.08 27.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -45.73 -49.25 37.49 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.9 -40.2 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.87 -35.76 81.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.47 -41.41 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 24.1 t-20 -78.34 -20.28 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.464 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.75 -51.93 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.094 HG21 ' HB2' ' A' ' 172' ' ' ALA . 15.7 t -89.36 -57.96 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.3 t-80 -68.46 24.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.634 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -136.57 66.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CH2' ' CD ' ' A' ' 168' ' ' GLN . 10.6 m95 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.008 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.0 -174.44 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.539 1.81 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -133.76 140.76 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 7' ' ' VAL . 4.5 tt -106.68 144.74 32.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.783 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -128.19 140.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.774 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.66 124.74 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.34 115.29 5.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.845 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -102.01 100.01 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.42 -148.56 7.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' HIS . 3.5 m-20 -134.99 127.5 18.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.89 -152.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.64 -77.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -51.87 -32.31 31.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 1.087 ' CD1' HD11 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -92.42 -20.51 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -73.07 -39.78 65.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' A' ' 21' ' ' ARG . 35.3 mmt-85 -42.42 -27.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 1.048 HG21 HD13 ' A' ' 151' ' ' LEU . 14.2 p -77.19 25.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.64 HH21 HG21 ' A' ' 27' ' ' VAL . 8.9 mmp_? 66.94 10.68 7.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -62.57 4.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.674 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.9 t-20 -125.75 33.73 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.9 HD13 HD13 ' A' ' 135' ' ' ILE . 4.4 mt -62.6 -42.46 99.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -55.44 -47.05 78.43 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.609 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.7 t80 -83.0 -25.24 32.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 23' ' ' ASN . 17.0 t -76.59 -40.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.633 HG22 ' SG ' ' A' ' 166' ' ' CYS . 61.5 t -80.04 -36.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -64.68 -44.52 90.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.195 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 26.6 t0 -70.29 -43.24 70.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -55.15 -51.64 65.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.1 -61.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -59.68 -19.95 52.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -80.1 -28.66 39.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -97.81 -42.53 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 55' ' ' SER . 0.3 OUTLIER -64.35 -164.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.99 27.61 19.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -99.47 118.43 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 48.43 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 2.0 t80 -79.62 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.588 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER 157.59 -160.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -108.21 151.09 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.57 169.67 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -66.09 -149.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.6 mtp85 -34.2 149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.479 ' C ' HD11 ' A' ' 79' ' ' LEU . 15.8 m 35.84 30.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -115.85 -69.81 0.45 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 46.72 -172.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.609 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -71.69 135.67 46.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.654 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -154.18 158.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.63 1.206 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -164.21 109.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.963 HG22 HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -93.96 126.81 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 -162.85 9.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mtp-105 -154.54 131.13 10.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.226 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.891 ' HB3' HD11 ' A' ' 36' ' ' LEU . 5.7 p -163.43 -178.12 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 174' ' ' GLU . . . 41.46 27.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.33 52.17 42.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.596 1.185 . . . . 0.0 111.013 -179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' SER . 2.1 mmt-85 178.37 154.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.428 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 3.2 m -77.24 162.68 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 55' ' ' SER . 3.6 pp -149.15 126.99 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.963 HG22 HG22 ' A' ' 52' ' ' THR . 14.5 t -107.33 106.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.693 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -99.26 127.0 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.211 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.538 ' CB ' HG22 ' A' ' 50' ' ' VAL . . . -143.28 162.72 34.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 177.66 122.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.08 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 12.3 mmt85 -78.2 -81.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.588 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -46.96 -22.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 108.265 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.889 ' O ' ' N ' ' A' ' 72' ' ' SER . 26.2 m-85 60.95 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.845 ' HA ' HD13 ' A' ' 10' ' ' LEU . 4.0 ttt -28.29 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.617 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -71.88 -48.88 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.588 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 8.6 tt0 -51.34 -35.56 38.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.889 ' N ' ' O ' ' A' ' 68' ' ' TYR . 84.4 p -70.59 -56.49 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.056 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.863 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -42.33 -48.84 5.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.959 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.81 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.573 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.2 tp60 -38.9 -50.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 18.8 mt -66.02 -43.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.35 -70.58 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.959 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.03 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.22 -40.22 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -68.06 -50.89 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -15.92 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.687 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -76.1 -44.27 39.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.529 ' HB3' HG23 ' A' ' 85' ' ' VAL . 11.8 m-85 -82.26 -12.15 58.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.2 t 58.14 54.62 5.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 110.048 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.529 HG23 ' HB3' ' A' ' 83' ' ' TYR . 46.1 t -104.87 167.95 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.527 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -88.64 154.16 50.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.497 ' CG ' ' HB2' ' A' ' 129' ' ' ASP . 18.3 Cg_endo -75.07 -24.73 12.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.63 1.7 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.6 m-20 -111.61 -24.32 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.3 tt -88.98 135.81 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.783 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -136.63 141.0 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.774 HG22 ' CG2' ' A' ' 8' ' ' VAL . 24.9 t -117.88 130.68 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.774 HG22 ' HB ' ' A' ' 133' ' ' VAL . 2.1 pt -110.36 148.02 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.363 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.605 ' O ' HD12 ' A' ' 135' ' ' ILE . 6.5 t-160 -155.4 170.78 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.868 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -98.64 146.06 26.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.649 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.06 157.99 32.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.951 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.872 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -99.16 101.4 12.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 138' ' ' GLY . 85.7 m-20 -88.72 -74.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -135.47 -79.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.2 tm-20 -92.19 170.75 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.617 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -91.94 70.83 5.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.581 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 161.67 48.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.736 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -136.52 163.15 31.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.465 0.744 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 1.06 HG23 HD11 ' A' ' 165' ' ' ILE . 0.8 OUTLIER -122.14 165.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.51 103.56 3.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.796 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.28 140.3 37.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -159.1 173.07 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -108.18 -54.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -82.27 -67.53 1.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 62.39 -143.47 48.67 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -99.14 -63.87 0.84 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.5 tt0 68.24 -63.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 0.735 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . -36.38 -65.29 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.8 -45.34 93.61 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.409 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -61.25 122.61 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.541 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -45.76 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.41 -61.38 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.734 HD13 ' HD3' ' A' ' 132' ' ' ARG . 11.5 mt -53.37 -46.89 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.6 ttt180 -58.81 -35.31 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -69.15 -35.11 76.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.863 HG22 ' HA2' ' A' ' 73' ' ' GLY . 27.2 t -65.92 -44.11 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.788 HG13 ' O ' ' A' ' 127' ' ' THR . 38.5 t -71.13 -30.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.84 -39.5 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -72.74 -44.5 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 1.09 HD13 ' CE1' ' A' ' 130' ' ' PHE . 13.3 mt -79.74 -24.31 41.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 64.93 5.93 21.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.409 1.068 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.788 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -98.39 -152.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.411 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -179.6 49.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.497 ' HB2' ' CG ' ' A' ' 87' ' ' PRO . 0.9 OUTLIER -132.57 -0.85 3.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 1.09 ' CE1' HD13 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -66.63 156.03 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.449 ' OE1' HG22 ' A' ' 91' ' ' ILE . 29.1 mt-30 -100.53 159.79 14.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.734 ' HD3' HD13 ' A' ' 118' ' ' LEU . 12.0 mtt-85 -133.34 149.99 51.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.234 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.774 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.3 t -144.14 81.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.607 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.9 mtp180 -86.43 145.19 26.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.9 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 mt -96.36 150.58 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 96' ' ' ASP . . . -109.79 102.52 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.7 pp -119.45 82.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -26.18 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.606 HG12 HD23 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -81.71 -30.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 1.087 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.8 mm? -97.9 39.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.726 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 39.4 tt0 -61.35 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.726 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 18.6 t30 132.4 45.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.864 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -72.67 28.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.605 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.99 -52.51 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.73 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.96 -72.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.864 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.86 11.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.4 mm-40 -75.17 -30.42 60.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.999 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.759 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.36 -34.9 58.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 1.008 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.1 mm-40 -76.23 -37.46 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.0 t -51.67 -49.36 83.51 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.999 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.7 Cg_endo -74.94 -30.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.456 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 42.7 m -62.73 -59.04 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.06 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.5 -53.27 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.838 ' N ' HD13 ' A' ' 165' ' ' ILE . 50.9 m -44.9 -49.36 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 108.267 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.95 -47.02 84.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.52 ' HB3' HG13 ' A' ' 188' ' ' VAL . 11.1 mm100 -61.36 -47.36 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 1.032 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.91 -44.66 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -68.1 -47.21 68.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.057 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -58.8 -44.97 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -60.66 -50.68 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 56' ' ' ALA . 2.2 pt-20 -62.83 -40.19 96.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -44.92 79.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 181' ' ' MET . 7.4 tp -52.16 -53.8 38.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.28 -26.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 179' ' ' GLN . 1.2 tt0 -57.14 -63.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 178' ' ' GLU . 2.6 mt-30 157.92 28.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.19 125.18 1.73 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.485 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 0.0 OUTLIER -117.17 -28.64 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 0.709 . . . . 0.0 111.042 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.5 mt-10 -68.72 -37.73 10.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.96 -39.27 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.84 -38.26 90.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -70.87 -39.86 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 1.032 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 31.5 m-20 -82.11 -21.87 36.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -91.16 -53.51 4.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.057 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 50.4 t -86.44 -55.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -72.6 22.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 1.032 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -84.32 -50.35 7.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.581 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.2 p-90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 107.963 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 3.0 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.59 8.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.559 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -133.39 138.37 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.693 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -114.25 140.69 48.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.841 HG13 ' CG1' ' A' ' 91' ' ' ILE . 14.9 t -130.44 144.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.785 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.44 121.27 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.02 118.23 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -94.73 108.34 20.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -124.54 -157.21 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.599 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 1.3 m120 -133.72 120.46 15.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.04 -12.0 21.42 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -57.87 -121.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.418 1.074 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.75 -74.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 0.83 . . . . 0.0 109.235 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.2 -38.62 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.929 ' O ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER -89.05 -21.89 23.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.58 67.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -54.42 -27.68 38.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 17' ' ' TYR . 1.6 t -75.71 19.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.47 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.594 ' C ' ' H ' ' A' ' 23' ' ' ASN . 1.8 mtt180 76.81 5.65 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.599 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 13.4 t-160 -64.56 5.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.569 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 21' ' ' ARG . 32.9 t30 -122.65 23.02 9.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 135' ' ' ILE . 3.3 mt -47.87 -43.13 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.717 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -51.14 -59.41 8.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.408 1.067 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 24.6 t80 -76.78 -23.62 52.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -72.25 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 t -77.07 -54.77 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.06 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -54.19 -36.07 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.1 m-20 -68.65 -53.38 22.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.37 -53.18 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.892 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -59.45 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -62.56 -24.63 67.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.95 -32.43 57.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.59 -43.47 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.31 19.42 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 36.36 29.76 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.716 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -38.71 149.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 0.714 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -133.64 40.38 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.73 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -62.71 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -156.45 -164.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.07 146.94 9.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -129.25 -170.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.07 -173.23 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 46' ' ' SER . 9.4 ttm180 51.55 -100.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.635 ' CB ' HD21 ' A' ' 79' ' ' LEU . 65.7 m -110.02 28.89 8.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -98.28 -66.33 0.88 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 49.3 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.688 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 2.6 mm-40 -71.16 145.45 49.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.73 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -162.77 133.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.662 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -137.75 117.48 13.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.26 125.96 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -119.41 99.27 0.75 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.561 1.163 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG3' ' OG ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -113.93 110.45 20.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 166.86 -168.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.68 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 52.9 21.9 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 71.22 42.37 57.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.599 1.187 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.0 OUTLIER 173.86 159.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 2.4 t -107.84 169.64 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.9 pp -163.1 124.64 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.545 HG11 HD11 ' A' ' 6' ' ' LEU . 35.0 t -103.44 94.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.06 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -93.12 118.8 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -141.26 177.39 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.721 ' HE2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 174.75 131.73 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.694 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.97 -155.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.52 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.9 mmt180 -83.95 -84.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.571 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -45.11 -21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.297 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.815 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 m-85 61.28 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' TYR . 31.0 ttm -29.71 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -70.28 -33.64 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.571 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER -58.89 -34.88 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 68' ' ' TYR . 22.9 t -77.51 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.937 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -40.0 -52.53 3.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.31 -47.22 44.44 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 0.746 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.8 tt0 -43.14 -51.18 6.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.814 HG22 HD21 ' A' ' 125' ' ' LEU . 20.5 mt -67.31 -45.8 85.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.14 -69.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.994 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.93 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.635 HD21 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.32 -40.19 61.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.77 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.89 -51.11 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -73.07 -16.33 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.55 -45.08 40.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.482 ' HB3' HG23 ' A' ' 85' ' ' VAL . 17.3 m-85 -88.16 -1.42 58.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.3 t 54.87 46.06 25.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.504 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 79.6 t -105.01 146.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.513 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.18 154.54 69.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.828 ' HG3' HG21 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.12 -12.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -15.7 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.693 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.4 p30 -110.06 -12.81 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.485 ' HB ' ' HA ' ' A' ' 87' ' ' PRO . 90.4 mt -86.34 130.4 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.841 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -137.85 118.88 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.785 HG22 ' CG2' ' A' ' 8' ' ' VAL . 11.4 t -103.21 134.41 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.95 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -114.43 143.83 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -158.35 177.33 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.625 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.688 ' CB ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -98.3 142.8 29.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 135' ' ' ILE . 9.2 t0 -148.78 174.07 12.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.28 106.29 16.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.83 -65.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.4 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 2.3 mp -124.43 -120.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -87.16 -169.67 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -91.85 50.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -174.2 42.44 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.593 ' HG2' ' CZ2' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -135.23 156.99 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 0.813 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.905 HG23 HD11 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -115.33 164.5 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 134' ' ' ARG . 12.0 tpt180 -149.81 97.62 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.859 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.36 130.52 52.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -152.46 -178.75 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.673 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -131.8 -87.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -42.1 -82.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.83 -120.09 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.9 49.82 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 44.47 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 118' ' ' LEU . . . -49.51 143.42 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -45.43 97.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.67 125.13 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.73 . . . . 0.0 109.549 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -56.8 -26.01 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.78 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.86 -62.29 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.432 1.082 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 113' ' ' GLY . 0.8 OUTLIER -58.2 -42.37 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.483 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -61.23 -33.68 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -75.36 -30.74 60.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.937 HG22 ' HA2' ' A' ' 73' ' ' GLY . 48.0 t -71.58 -43.12 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.04 -43.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.402 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -71.42 -37.25 71.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -71.91 -47.89 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.814 HD21 HG22 ' A' ' 76' ' ' ILE . 31.1 mt -77.62 -23.12 49.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.68 2.04 48.69 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.828 HG21 ' HG3' ' A' ' 87' ' ' PRO . 13.5 t -126.71 177.53 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.617 0.834 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.538 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -142.42 18.59 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 9.22 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 2.1 p90 -86.73 164.09 16.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 30.2 mt-30 -100.57 156.83 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -134.31 147.78 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.95 ' HB ' HG22 ' A' ' 93' ' ' ILE . 19.7 t -133.1 81.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -86.53 144.04 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -96.86 136.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -90.34 104.08 3.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.565 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 3.1 pt -105.89 154.96 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.13 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 3.2 t80 -72.41 -30.53 64.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.548 ' CG2' HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -72.3 -34.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.531 HD13 ' CE1' ' A' ' 17' ' ' TYR . 39.4 mt -92.47 28.38 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.616 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.2 mm-40 -65.72 -104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.617 ' C ' ' H ' ' A' ' 155' ' ' THR . 2.7 t-20 145.56 49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.853 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.09 29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.617 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -22.75 -51.73 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.6 1.187 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.705 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.92 -68.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.853 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.15 -40.43 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.646 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -75.01 -30.91 61.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.2 -43.67 87.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.707 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.44 -34.19 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 1.022 ' O ' HG22 ' A' ' 165' ' ' ILE . 10.1 mm-40 -74.72 -36.03 62.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.646 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -56.61 -52.15 75.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.91 -24.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.59 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.9 m -66.23 -61.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.022 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.05 -53.66 31.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.658 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -45.69 -47.6 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.178 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -57.9 -47.44 82.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.56 ' CG ' HG13 ' A' ' 188' ' ' VAL . 1.1 tp-100 -64.53 -48.27 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.679 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -65.78 -36.18 82.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -59.1 -42.52 90.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.2 m-20 -65.79 -44.85 84.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.962 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -61.37 -37.52 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 5.2 m -62.89 -51.32 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.77 -47.62 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.81 -35.68 81.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.5 tt -55.35 -52.18 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 56' ' ' ALA . 26.5 mt -72.33 -23.79 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.6 -41.83 83.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.082 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.19 -71.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.42 176.35 35.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 8.6 ptp -90.48 -16.31 29.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 6.2 mt-10 -50.49 -46.33 84.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.02 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.946 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -65.42 -39.01 91.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 189' ' ' HIS . 4.8 tt0 -70.7 -39.2 73.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.99 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.3 t-20 -81.3 -19.62 42.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 1.3 ttt-85 -95.16 -53.03 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.962 HG21 ' HB2' ' A' ' 172' ' ' ALA . 75.8 t -88.11 -57.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 185' ' ' GLN . 26.7 m80 -71.82 21.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.99 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -84.54 -41.69 16.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 103' ' ' ARG . 1.4 p-90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -129.14 137.64 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.858 HD23 ' N ' ' A' ' 7' ' ' VAL . 7.7 tt -106.59 149.24 27.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.926 HG12 HG12 ' A' ' 91' ' ' ILE . 15.6 m -132.38 141.06 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -128.38 124.64 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.71 110.18 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -97.05 97.01 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.71 -143.16 6.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.155 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 2.3 t30 -135.24 127.37 17.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.1 23.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' ALA . . . 74.73 162.26 9.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.425 1.078 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.763 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -39.55 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 m120 37.86 -139.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.584 ' HB3' HD11 ' A' ' 151' ' ' LEU . 2.3 m-85 -69.12 -14.85 63.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -48.15 -24.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 17' ' ' TYR . 3.3 tpt180 -68.39 -45.91 71.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.708 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 44.3 p -67.95 -2.42 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.982 ' NH1' HG21 ' A' ' 27' ' ' VAL . 3.3 tpp180 104.12 13.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CB ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -71.28 14.57 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.459 1.099 . . . . 0.0 109.655 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.572 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.4 t-20 -123.17 12.7 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.105 HD13 HD13 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -39.72 -45.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.528 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -47.01 -56.68 7.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 59.4 t80 -83.95 -23.13 31.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.982 HG21 ' NH1' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -70.47 -45.18 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.726 HG23 HD23 ' A' ' 24' ' ' LEU . 1.8 t -79.79 -45.96 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.757 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.5 -35.69 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' ALA . 29.1 t0 -73.92 -53.38 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.66 -48.28 75.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD12 HG13 ' A' ' 28' ' ' VAL . 4.5 mt -59.85 -59.25 5.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -61.11 -19.04 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.72 -29.26 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.63 -42.27 10.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.344 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -19.42 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.88 -14.83 60.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 33' ' ' ALA . . . -64.47 146.2 54.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.19 49.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.576 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 1.7 t80 -61.07 -118.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 175.93 -161.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -127.36 150.7 49.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ALA . 22.9 m-70 -121.87 152.59 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.572 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -173.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.4 ttp180 37.41 -144.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.423 ' C ' HD11 ' A' ' 79' ' ' LEU . 2.5 p -67.58 56.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -128.99 -52.35 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.58 -171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.578 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 12.8 tp10 -70.07 147.24 50.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 71.7 t -156.68 152.4 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -163.75 106.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -86.19 147.99 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 60' ' ' LEU . . . -148.6 -165.84 12.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.98 130.62 13.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 0.822 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -175.91 179.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 174' ' ' GLU . . . 44.77 25.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 66.8 41.89 93.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' SER . 5.4 tpm_? -175.4 154.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.89 164.61 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.4 OUTLIER -139.92 128.05 22.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.198 -179.917 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.48 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 94.1 t -107.97 96.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.857 ' HA ' HG23 ' A' ' 7' ' ' VAL . 2.1 tm? -94.3 121.81 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.499 ' C ' ' HD2' ' A' ' 64' ' ' LYS . . . -142.25 167.64 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.608 ' NZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -176.55 126.2 0.32 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 -179.919 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.03 -155.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.527 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.2 mmt180 -80.55 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.653 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.43 -16.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 108.342 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.68 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.0 m-85 60.69 -82.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.813 ' HA ' HD13 ' A' ' 10' ' ' LEU . 24.5 ttm -37.71 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.666 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 10.4 t-20 -59.54 -42.92 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.653 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.3 OUTLIER -50.45 -42.42 54.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 39.8 t -65.59 -51.51 59.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.868 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -43.77 -51.46 6.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.935 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.45 -54.48 6.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.569 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -43.0 -49.28 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -66.53 -44.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.0 -69.57 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.935 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.96 -47.19 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -53.49 -41.21 66.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.969 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.14 -50.16 62.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.73 61.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.3 t80 -73.42 -43.34 60.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.576 ' O ' HG23 ' A' ' 85' ' ' VAL . 6.8 m-85 -78.95 1.5 23.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 p 52.14 46.96 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 83' ' ' TYR . 79.3 t -127.21 151.18 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' OD1' ' A' ' 89' ' ' ASN . . . -83.01 157.98 65.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.568 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.96 -9.11 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.434 1.754 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -19.39 57.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -102.94 -17.73 15.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.755 HD13 HD12 ' A' ' 76' ' ' ILE . 33.2 mt -86.05 134.92 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.926 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -136.97 123.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.6 p -102.03 137.0 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.957 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -114.62 147.08 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.979 ' O ' HD12 ' A' ' 135' ' ' ILE . 7.6 t-160 -153.64 167.05 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.429 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -91.79 142.1 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -154.12 167.41 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.647 HD21 HG23 ' A' ' 150' ' ' VAL . 1.4 mp -99.0 133.03 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.46 ' OD1' HD12 ' A' ' 99' ' ' LEU . 11.5 t0 -126.63 -85.49 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.46 HD12 ' OD1' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -136.44 -74.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -88.99 166.2 14.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.74 55.46 2.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 175.94 49.01 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -134.07 163.09 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 0.726 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.61 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -123.06 165.96 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.8 mmt180 -147.77 106.49 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.801 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.8 139.08 41.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 165.71 34.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -105.21 -54.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.499 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -85.87 -95.33 0.79 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.428 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . 75.7 -85.58 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.66 119.25 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.586 ' CD ' HG21 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -38.85 -55.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 53.68 -129.38 41.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . -79.48 62.96 4.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 114' ' ' GLY . 61.7 m-70 -147.73 106.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.584 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.07 -37.34 78.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.81 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.86 -65.92 3.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 122' ' ' VAL . 8.5 mt -53.11 -50.15 65.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -57.68 -34.7 69.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.5 m -70.19 -30.62 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.868 HG22 ' HA2' ' A' ' 73' ' ' GLY . 15.4 t -71.07 -42.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 127' ' ' THR . 10.3 t -70.06 -33.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.5 -37.85 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.79 -47.43 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.969 HD21 ' HB3' ' A' ' 80' ' ' ALA . 15.1 mt -81.24 -23.52 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 68.33 4.69 38.51 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.922 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -118.0 176.11 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.549 ' HE2' ' CE1' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -143.03 62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -131.13 18.25 4.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.718 ' CE1' HG22 ' A' ' 122' ' ' VAL . 30.9 p90 -90.99 172.18 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.553 ' OE1' HG22 ' A' ' 91' ' ' ILE . 33.7 mt-30 -115.7 159.11 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.428 ' NH1' ' HA3' ' A' ' 110' ' ' GLY . 0.3 OUTLIER -130.67 147.75 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.957 ' HB ' HG22 ' A' ' 93' ' ' ILE . 8.2 t -140.26 81.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -87.71 145.19 26.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.105 HD13 HD13 ' A' ' 24' ' ' LEU . 3.5 mp -96.99 149.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 98' ' ' ASP . . . -108.87 95.4 0.91 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.655 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -105.52 101.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.069 0 O-C-N 124.558 1.161 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.73 -36.53 72.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.0 t80 -75.8 -25.39 56.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.904 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -77.02 -29.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.904 HD22 HG12 ' A' ' 150' ' ' VAL . 4.5 mm? -90.36 44.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.8 mm-40 -67.75 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 7.7 t-20 145.64 45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.765 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -76.77 27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.563 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.26 -52.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.671 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.01 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.765 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -41.78 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.346 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.695 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.2 mt-10 -74.96 -29.55 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.992 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.23 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.731 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.87 -35.47 59.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.847 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.9 tp10 -77.76 -37.48 48.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.695 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -50.78 -49.29 80.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.992 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -36.89 2.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 168' ' ' GLN . 21.6 m -51.95 -53.48 40.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -76.73 -47.37 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.913 ' N ' HD13 ' A' ' 165' ' ' ILE . 53.8 t -48.64 -54.51 14.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.668 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 1.1 mm-40 -58.63 -52.97 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.235 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 164' ' ' THR . 0.0 OUTLIER -58.37 -48.91 79.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.565 ' CB ' HG12 ' A' ' 104' ' ' ILE . . . -70.8 -29.71 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.94 -47.42 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -70.22 -43.81 69.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.659 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.1 -41.65 97.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.9 m -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -56.45 -45.21 80.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.484 ' HA ' ' CB ' ' A' ' 178' ' ' GLU . 0.6 OUTLIER -68.43 -39.66 81.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.714 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.1 tt -50.59 -47.77 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.485 HG21 HD13 ' A' ' 5' ' ' LEU . 72.6 mt -81.56 -21.25 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.484 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 8.4 tm-20 -58.07 -49.2 77.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -139.13 -72.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -142.88 168.23 26.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.517 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 15.8 ptp -90.67 -9.48 46.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 0.808 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.551 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -46.72 -48.51 49.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.582 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -75.01 -37.14 2.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.719 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.88 -43.25 93.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -68.52 -38.31 80.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 1.003 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.97 -24.47 35.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.97 -56.38 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.719 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -71.73 -50.73 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -79.86 16.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 1.003 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -77.49 -54.82 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 188' ' ' VAL . 31.1 p90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.01 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.434 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 1.4 pt-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.19 31.89 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.603 1.844 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 59' ' ' SER . 2.0 mt -135.74 136.55 40.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.837 HD13 HG12 ' A' ' 90' ' ' ILE . 1.2 tt -122.35 139.11 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.223 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.903 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.9 139.41 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -132.66 122.27 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.02 110.95 3.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -96.27 105.26 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.265 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -133.58 -137.92 3.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.53 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -134.26 130.92 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.99 75.98 3.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 60.07 139.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . 164.0 136.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -54.17 -37.6 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.55 ' HE1' HD13 ' A' ' 151' ' ' LEU . 7.6 t80 -84.15 -18.47 36.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.895 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . . . -71.34 -38.5 71.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' ' C ' ' A' ' 20' ' ' THR . 17.4 mmt85 -46.58 -49.61 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.759 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 71.2 p -27.8 -43.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.759 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 160.89 -9.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.484 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -54.16 -3.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.1 t-20 -117.11 37.74 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -66.95 -52.19 46.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.635 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -48.0 -55.42 10.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.559 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 5.2 t80 -71.53 -26.99 62.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.8 t -65.81 -41.43 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 24' ' ' LEU . 61.0 t -72.35 -52.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.037 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.69 -45.93 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 12.8 t70 -60.83 -40.93 94.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -60.81 -62.1 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 2.9 mt -51.73 -33.71 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . . . -81.62 -24.99 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -93.12 -0.62 56.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -117.99 -40.96 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.354 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.973 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -81.37 -15.36 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.89 1.57 79.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.546 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -29.82 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.62 37.89 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.795 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -58.83 -153.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 -162.1 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.64 146.34 13.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ALA . 3.0 t-80 -132.91 171.84 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.48 -166.7 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 37.75 -144.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.433 ' CB ' HD21 ' A' ' 79' ' ' LEU . 60.3 m -70.24 51.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -126.63 -62.17 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.59 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.679 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 2.0 mt-10 -67.26 139.87 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.795 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -151.15 135.68 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.699 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -142.43 124.48 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 124.86 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.84 93.65 0.62 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.4 OUTLIER -114.08 109.16 18.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 165.45 -177.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 61.13 23.34 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 65.46 31.02 78.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -167.92 159.51 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.698 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m -107.13 162.63 13.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.945 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.99 127.49 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.386 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 7' ' ' VAL . 4.6 t -98.35 111.51 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.037 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.1 tm? -102.5 110.79 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -140.01 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.559 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.15 129.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.677 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.5 Cg_endo -74.92 -156.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.6 mmt180 -86.52 -83.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.602 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.84 -19.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.754 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.0 m-85 60.01 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.486 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -38.06 -79.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.98 -35.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.602 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -58.98 -38.83 80.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.754 ' N ' ' O ' ' A' ' 68' ' ' TYR . 24.3 t -73.06 -51.65 17.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.607 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -47.54 -50.12 19.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.57 -47.58 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.591 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -45.29 -50.61 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 80' ' ' ALA . 50.9 mt -68.09 -45.25 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.61 -69.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.424 1.75 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -53.78 -40.16 66.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.819 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.2 -49.85 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -14.71 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.719 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.5 t80 -77.48 -42.23 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -79.15 -15.42 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.5 p 46.1 42.98 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.588 HG22 ' H ' ' A' ' 86' ' ' ALA . 1.5 p -110.12 -179.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.588 ' H ' HG22 ' A' ' 85' ' ' VAL . . . -75.86 120.63 82.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.759 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.4 Cg_endo -74.97 2.95 6.04 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.3 -1.11 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.701 ' O ' ' N ' ' A' ' 6' ' ' LEU . 13.9 p30 -109.0 -13.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.837 HG12 HD13 ' A' ' 6' ' ' LEU . 8.5 mt -86.71 128.54 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.903 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -137.93 137.25 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 12.2 p -114.93 132.18 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.997 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -108.3 145.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.962 ' O ' HD12 ' A' ' 135' ' ' ILE . 6.9 t-160 -152.53 -176.91 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -106.15 146.28 30.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.2 t70 -151.6 160.84 43.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.943 HD22 ' CG2' ' A' ' 150' ' ' VAL . 1.2 pt? -105.05 108.31 19.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.99 -81.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.546 HD13 ' NH2' ' A' ' 103' ' ' ARG . 7.5 mp -117.77 -101.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 138' ' ' GLY . 8.8 mp0 -88.23 175.92 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.599 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 1.1 m-85 -91.47 81.58 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.2 38.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.5 tmm_? -136.73 158.83 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.904 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.5 pp -119.7 152.03 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -138.57 100.27 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -107.02 149.47 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 1.6 mtmt -155.94 -172.07 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.711 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.6 tp -124.61 -85.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.711 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -68.83 -114.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 111' ' ' GLY . . . 37.3 94.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 110' ' ' GLY . . . -33.79 146.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 118' ' ' LEU . 1.8 pp20? -38.41 146.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.06 -53.94 20.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.92 50.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.417 ' HB2' HD12 ' A' ' 118' ' ' LEU . 11.9 m-70 -129.89 138.99 51.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 0.775 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 120' ' ' SER . 97.9 m-20 -63.41 -26.39 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 69' ' ' MET . . . -61.37 -65.12 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.16 -48.45 80.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.417 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -58.05 -38.22 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 19.7 m -69.75 -30.09 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.676 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -67.41 -45.95 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 14.8 t -73.18 -26.04 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.57 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -78.23 -45.61 22.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.819 HD21 ' CB ' ' A' ' 80' ' ' ALA . 13.4 mt -78.94 -22.29 45.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 73.31 9.17 76.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER 82.6 159.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 8.7 mmtt 159.0 -11.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 2.2 p30 151.26 -106.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.722 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 13.8 m-85 62.65 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.679 ' CG ' HD13 ' A' ' 108' ' ' ILE . 41.8 mt-30 -113.06 159.23 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 131' ' ' GLN . 5.1 mmt180 -134.38 148.05 50.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.997 ' HB ' HG22 ' A' ' 93' ' ' ILE . 4.2 t -136.51 83.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.1 mtt180 -88.89 161.11 16.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.962 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.3 mp -112.07 154.3 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -106.44 94.92 0.99 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.649 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.48 99.17 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.506 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.14 99.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.427 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 8.2 t80 -77.07 -21.1 54.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.943 ' CG2' HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -74.77 -36.72 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.219 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.55 HD13 ' HE1' ' A' ' 17' ' ' TYR . 1.3 mt -116.5 52.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -63.9 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.557 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.2 t30 163.18 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.602 1.189 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.762 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -72.99 29.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.579 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.08 -52.75 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.706 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.99 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.762 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.52 -40.24 18.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.612 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -74.45 -31.94 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.32 -42.46 91.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.703 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.24 -34.76 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.391 1.057 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.637 ' O ' HG22 ' A' ' 165' ' ' ILE . 57.7 mm-40 -75.19 -35.98 61.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -55.26 -52.39 71.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -25.69 11.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.562 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.8 m -59.62 -58.45 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -74.69 -45.24 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.998 ' N ' HD13 ' A' ' 165' ' ' ILE . 16.5 m -47.65 -46.71 29.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.75 -44.53 77.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -63.25 -47.42 82.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.828 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.2 -40.96 90.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.81 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 61.0 m-20 -68.24 -45.01 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.024 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -57.54 -43.32 84.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.22 -52.56 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.59 -45.59 85.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.491 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.31 -36.68 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.0 tt -54.65 -52.06 63.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 56' ' ' ALA . 36.6 mt -73.47 -23.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -41.63 84.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.63 -71.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -158.96 175.7 35.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.408 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 21.5 ttt -89.59 -20.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.3 mt-10 -46.71 -47.99 50.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -40.13 96.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -72.6 -39.23 67.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.745 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 13.5 m-20 -79.43 -19.79 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 183' ' ' PRO . 4.9 ttt180 -97.72 -52.84 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.024 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 18.1 t -87.91 -57.96 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.614 ' HA ' ' CZ3' ' A' ' 191' ' ' TRP . 9.6 t-80 -68.96 23.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -137.84 60.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.614 ' CZ3' ' HA ' ' A' ' 189' ' ' HIS . 20.3 m-90 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.12 160.33 39.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.6 mt -135.81 144.41 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -112.18 139.51 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.686 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -121.9 140.83 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.867 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.15 121.69 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.436 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -96.09 110.14 3.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.49 108.52 20.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.538 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -130.43 -141.61 4.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.069 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.731 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 23.5 t-20 -138.99 129.38 14.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.641 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -75.13 -20.64 16.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.69 -144.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.688 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -158.12 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' ALA . 7.6 m-80 -37.67 -57.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.935 ' CE2' HD22 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -84.48 -18.34 36.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.731 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -72.06 -29.24 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.5 tpt85 -62.91 -58.13 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 81.8 p -28.91 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.705 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 142.73 3.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.4 t-160 -67.23 9.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' VAL . 63.5 t30 -130.12 34.77 4.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.705 HD23 ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -61.46 -48.12 82.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.668 ' HA2' HD12 ' A' ' 93' ' ' ILE . . . -51.23 -54.43 23.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CB ' ' OD1' ' A' ' 23' ' ' ASN . 0.7 OUTLIER -73.38 -26.44 61.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.753 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.9 t -72.9 -40.56 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -75.64 -50.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -56.76 -36.38 69.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.7 m-20 -68.2 -51.52 44.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.524 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -45.97 -56.35 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.23 -179.945 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.77 -47.02 77.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.307 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -67.73 -18.69 64.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.63 -31.95 36.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -43.34 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -19.49 53.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 93.88 -40.59 2.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 60.32 145.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.81 17.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 1.09 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -77.12 -148.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -165.11 -165.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -152.31 114.82 4.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER 178.55 -85.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER 59.86 -163.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 -37.4 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.487 ' HB3' HD21 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -76.01 -9.1 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 69.96 86.76 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 65' ' ' PRO . . . -172.92 179.31 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 0.803 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.62 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.2 tp10 -84.47 148.42 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.67 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 17.5 m -148.0 135.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.09 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -144.33 125.2 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 126.55 41.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 110.462 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.05 130.65 5.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 98.27 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 57' ' ' GLY . 15.2 m -166.86 -168.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 51.15 21.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.91 44.39 68.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.5 ' HG2' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 177.26 155.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.48 176.14 10.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.7 pp -175.93 103.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.481 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 23.0 t -102.02 110.48 28.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.879 HD11 ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -98.71 122.85 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.701 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -142.34 165.98 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.879 ' HE3' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 174.6 123.03 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.757 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.94 -155.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.641 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 1.1 mpt_? -79.94 -84.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.92 -20.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.757 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 34.8 m-85 60.64 -82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.57 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.093 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.639 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 2.2 m-80 -71.97 -43.23 65.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -52.56 -38.87 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.0 t -70.48 -52.36 22.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.866 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.72 -51.26 3.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.909 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.97 -55.99 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 0.751 . . . . 0.0 110.368 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.594 ' HB2' ' HG3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -43.58 -47.55 7.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.961 ' CG2' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -67.65 -45.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.72 -66.57 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.909 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -75.05 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 46' ' ' SER . 4.7 mt -53.95 -41.13 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.883 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.16 -50.1 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -17.88 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.2 t80 -73.41 -45.17 56.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.506 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.6 m-85 -82.39 -12.7 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 t 57.22 55.97 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.506 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.0 OUTLIER -106.35 163.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.47 160.69 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.599 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -33.41 4.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.8 0.89 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 5' ' ' LEU . 70.6 m-20 -109.5 -23.51 11.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.34 133.06 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.686 HG12 HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -136.54 119.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.867 HG22 ' CG2' ' A' ' 8' ' ' VAL . 43.7 t -104.47 123.78 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.806 ' C ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -103.72 144.92 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.968 ' O ' HD12 ' A' ' 135' ' ' ILE . 10.2 t-160 -151.36 -177.55 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.674 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.53 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p-10 -102.88 140.28 37.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.3 t70 -151.13 163.88 37.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.738 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.2 pt? -103.58 120.31 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.595 ' C ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -123.78 -71.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.595 HD22 ' C ' ' A' ' 98' ' ' ASP . 4.6 mm? -125.07 -106.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -90.55 174.56 7.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.578 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 63.6 m-85 -90.12 93.75 9.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.498 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 148.39 40.93 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.691 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -140.26 157.64 45.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.519 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.0 OUTLIER -117.14 165.5 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -147.29 107.64 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.814 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.21 131.86 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.29 174.99 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.646 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -132.24 -87.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.646 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -49.22 -51.34 26.24 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.13 76.68 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -139.72 -168.92 11.47 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 48.47 63.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.89 49.22 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.93 58.26 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -114.54 134.14 55.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -59.79 -52.93 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.69 -63.27 5.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.736 ' O ' HG12 ' A' ' 121' ' ' VAL . 10.8 mt -49.3 -42.88 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.466 ' O ' HG12 ' A' ' 122' ' ' VAL . 8.7 ttp180 -64.06 -32.82 74.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 13.2 t -72.47 -28.42 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.866 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.03 -42.54 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -63.87 -47.95 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.0 -36.11 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.84 -45.57 70.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.961 HD11 ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -78.04 -24.18 47.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.48 2.5 55.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -107.75 -158.62 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER 176.4 62.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.928 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.548 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 1.3 m-20 -148.04 15.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.705 ' CE2' HD22 ' A' ' 125' ' ' LEU . 10.0 m-85 -85.75 162.75 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.541 ' CB ' HD13 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -107.24 164.96 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.426 1.079 . . . . 0.0 110.362 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 14.9 mtt-85 -144.3 149.4 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 106' ' ' LEU . 2.5 t -121.76 89.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.3 mtp85 -85.47 145.62 27.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.968 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.8 mt -97.7 151.12 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.26 97.77 1.45 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.71 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -108.65 102.43 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 -179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.49 -38.66 78.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -76.02 -25.92 56.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.71 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -74.65 -29.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.935 HD22 ' CE2' ' A' ' 17' ' ' TYR . 2.3 mt -106.18 45.38 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.57 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.5 mm-40 -64.07 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.592 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 5.5 t-20 150.65 46.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.807 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -70.87 31.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -10.42 -55.66 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.906 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.797 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.1 -83.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.807 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -40.88 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.623 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -78.54 -43.98 25.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.022 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.52 -30.36 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.67 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.1 -41.07 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.904 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.9 mm-40 -78.18 -35.93 48.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.512 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 1.1 t -49.02 -51.74 53.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.022 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -36.15 2.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.535 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.2 m -52.0 -50.46 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.904 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -80.79 -49.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.887 ' N ' HD13 ' A' ' 165' ' ' ILE . 17.2 m -44.21 -50.99 8.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.65 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 3.8 mm-40 -67.13 -49.07 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.57 -48.45 81.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 165' ' ' ILE . . . -71.91 -30.6 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -57.38 -47.73 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.8 m-20 -69.58 -45.5 68.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.742 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -61.45 -36.53 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 169' ' ' ALA . 2.2 m -64.88 -51.69 60.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.651 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.97 -34.57 68.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.651 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 tp -72.57 -44.99 61.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.8 tt -50.68 -43.95 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.67 -23.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 5.5 tm-20 -57.2 -49.23 76.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.413 1.071 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -140.52 -71.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -144.68 170.84 26.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.52 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 16.9 ptp -89.65 -12.09 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -44.03 -49.68 21.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.929 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -74.96 -36.74 2.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.2 tt0 -68.71 -37.77 79.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.995 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 11.4 m-20 -82.29 -23.92 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.32 -57.29 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.742 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -70.26 -49.66 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.563 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.51 17.07 1.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.995 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -75.64 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.503 ' CZ3' ' O ' ' A' ' 187' ' ' ARG . 39.9 p90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.05 176.84 9.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.551 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 4.2 mt -140.39 134.59 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -133.18 136.71 45.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.622 HG13 HG12 ' A' ' 91' ' ' ILE . 34.1 t -129.33 145.93 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.731 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -140.07 116.95 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.69 114.5 4.84 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.152 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.785 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -107.2 108.89 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.54 -139.6 6.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -133.68 118.12 14.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.97 -7.33 19.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -62.84 -112.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 164.44 -82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -46.14 -40.88 11.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CE1' HD22 ' A' ' 151' ' ' LEU . 1.3 t80 -84.61 -22.89 29.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.83 -28.71 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 21' ' ' ARG . 18.8 mmt85 -45.36 -28.86 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -75.14 20.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.603 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.0 mmp_? 70.43 14.02 7.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 9.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.642 ' O ' HG23 ' A' ' 27' ' ' VAL . 65.8 t30 -125.94 29.41 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.851 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -54.19 -46.58 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.58 -61.65 4.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CD2' ' OH ' ' A' ' 68' ' ' TYR . 1.9 t80 -72.83 -23.03 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 23' ' ' ASN . 5.1 t -73.71 -39.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 24' ' ' LEU . 1.2 t -71.54 -51.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.647 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -54.1 -47.34 71.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.2 m-20 -59.39 -45.93 90.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.05 -60.56 3.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 3.2 mt -56.89 -25.68 57.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -84.71 -21.18 30.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.7 -28.8 33.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -90.16 -42.82 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.07 18.37 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 68.19 -55.07 0.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.59 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 74.15 145.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -163.84 36.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 109.38 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 1.01 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.01 -150.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -164.6 -163.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.85 144.81 46.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -100.65 108.42 20.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.78 47.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -39.21 -61.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.931 ' CB ' HD11 ' A' ' 79' ' ' LEU . 78.1 p -78.77 -25.26 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 72.36 76.49 0.62 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.703 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 175.51 178.59 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.753 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.72 147.8 26.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 8.4 m -141.75 129.41 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 1.01 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -145.81 110.12 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -98.92 163.5 12.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.37 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -149.21 -165.0 11.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.71 131.01 6.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.3 OUTLIER 174.44 -174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.829 ' HB1' HG22 ' A' ' 177' ' ' ILE . . . 44.67 26.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.0 50.71 56.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 173.3 154.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 0.762 . . . . 0.0 110.345 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -77.82 164.09 25.5 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -141.81 129.27 21.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.466 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.5 t -107.77 108.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.647 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -107.82 110.22 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.97 172.92 7.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER -177.12 115.87 0.26 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.703 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -74.97 -155.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.6 mmt180 -84.88 -85.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -47.15 -19.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 108.322 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.733 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.0 m-85 61.42 -80.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.679 ' N ' HD13 ' A' ' 10' ' ' LEU . 3.9 ttt -37.7 -84.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -69.2 -38.05 78.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -56.44 -37.78 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.8 t -71.5 -56.67 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.865 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -41.47 -52.58 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.57 -47.1 28.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.587 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.5 tp60 -43.99 -50.86 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 110.237 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.735 HG22 HD21 ' A' ' 125' ' ' LEU . 7.9 mt -68.34 -48.31 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.38 -66.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.01 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.931 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.44 -40.97 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.46 -50.11 54.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -16.8 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.751 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -82.55 -12.87 57.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.8 t 51.54 46.25 26.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.959 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.562 HG22 ' H ' ' A' ' 86' ' ' ALA . 9.8 p -113.96 172.05 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.562 ' H ' HG22 ' A' ' 85' ' ' VAL . . . -80.45 123.6 82.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 1.033 ' O ' HG22 ' A' ' 90' ' ' ILE . 18.2 Cg_endo -75.01 3.24 5.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB2' ' CB ' ' A' ' 129' ' ' ASP . . . -71.1 -14.54 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.714 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -99.6 -4.17 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.913 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 1.033 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.2 tt -86.81 134.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.622 HG12 HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.72 116.94 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.731 HG22 ' CG2' ' A' ' 8' ' ' VAL . 46.7 t -99.72 123.17 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.662 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -111.95 143.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.791 ' O ' HD12 ' A' ' 135' ' ' ILE . 13.0 t-160 -161.96 166.28 26.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.547 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.614 ' OD1' HD13 ' A' ' 137' ' ' ILE . 6.9 t0 -94.07 145.13 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -138.19 168.07 20.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.816 ' HB3' HG21 ' A' ' 150' ' ' VAL . 1.1 pt? -96.13 83.5 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -132.05 -47.68 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.737 HD23 ' CD1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -136.4 95.97 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 138' ' ' GLY . 48.7 tt0 -75.25 35.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.737 ' CD1' HD23 ' A' ' 99' ' ' LEU . 6.3 m-85 -100.63 -40.98 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.725 ' O ' HG21 ' A' ' 165' ' ' ILE . . . 124.42 37.68 0.55 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.729 ' O ' HG23 ' A' ' 135' ' ' ILE . 15.0 mmt-85 -103.04 -179.38 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.249 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.792 HD13 ' HB1' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -122.41 166.69 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.3 OUTLIER -146.79 109.07 4.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.912 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.82 132.17 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.45 ' N ' HD22 ' A' ' 106' ' ' LEU . 0.7 OUTLIER -146.31 166.41 26.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.645 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -127.94 -87.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.645 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -64.03 -35.29 91.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.431 ' C ' ' NH1' ' A' ' 132' ' ' ARG . . . -86.93 143.93 19.2 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.95 -173.02 18.96 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 70.11 73.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -116.36 -101.23 2.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.48 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -89.17 71.81 2.3 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 29.6 m80 -155.76 111.68 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' SER . 1.8 t30 -62.95 -43.12 99.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.451 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -54.57 -61.9 6.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.702 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.9 mt -53.01 -51.11 62.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.531 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.7 mtp180 -59.11 -31.64 69.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 31.1 t -73.45 -28.31 61.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.865 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.89 -43.35 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.792 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.52 -45.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.98 -36.9 75.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -71.62 -38.88 70.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.735 HD21 HG22 ' A' ' 76' ' ' ILE . 1.6 mt -82.6 -22.4 34.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.86 7.69 75.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 72.76 127.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -178.13 36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 1.3 m-20 87.79 125.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.792 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 22.1 p90 -178.9 158.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.475 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -129.03 167.44 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 110.237 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.72 150.93 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.345 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 41.7 t -126.51 89.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 19.8 mtp180 -86.38 144.2 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.2 mp -104.86 149.6 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.993 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -94.13 118.52 5.78 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 136' ' ' GLY . 1.0 OUTLIER -145.35 23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.38 0.694 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.558 ' HA3' ' CA ' ' A' ' 97' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 150' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.52 90.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.92 -25.99 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.816 HG21 ' HB3' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -77.88 -33.31 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.588 HD22 ' CE1' ' A' ' 17' ' ' TYR . 85.5 mt -79.36 50.44 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.692 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -81.75 -99.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.692 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.6 t30 138.69 49.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.843 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -69.32 27.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.615 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.46 -52.11 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.72 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.843 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -41.71 14.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.9 mt-10 -73.26 -32.29 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.02 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -59.93 -42.57 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.673 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.67 -36.65 60.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.951 ' O ' HG22 ' A' ' 165' ' ' ILE . 12.8 mm-40 -75.99 -37.56 58.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -50.69 -52.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.02 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -29.62 7.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.3 m -60.43 -56.68 18.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.431 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.951 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -73.08 -51.68 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.815 ' N ' HD13 ' A' ' 165' ' ' ILE . 21.8 m -41.05 -48.66 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.357 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.21 -48.57 70.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.521 ' HB3' ' CE2' ' A' ' 191' ' ' TRP . 0.9 OUTLIER -64.71 -43.52 93.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.792 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -71.92 -35.35 69.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -56.08 -49.01 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.0 OUTLIER -69.87 -38.62 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.991 ' HB1' HG22 ' A' ' 188' ' ' VAL . . . -65.56 -37.25 86.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.9 m -65.09 -51.01 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.7 pt-20 -55.35 -43.01 74.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.49 -38.91 92.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.4 tt -54.74 -49.05 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.829 HG22 ' HB1' ' A' ' 56' ' ' ALA . 8.4 mt -79.09 -17.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 5.8 tm-20 -70.31 -33.55 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -132.64 -72.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -174.31 -152.13 8.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.596 1.185 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 185' ' ' GLN . 3.3 ptt? -95.35 -34.81 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -44.58 -51.94 19.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.945 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.14 -36.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.838 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.27 -43.15 82.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -66.9 -37.03 83.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.989 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.6 t30 -81.27 -22.66 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.664 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 3.7 ttt180 -102.88 -58.46 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.991 HG22 ' HB1' ' A' ' 172' ' ' ALA . 14.7 t -62.16 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.57 6.49 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.553 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.989 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -85.22 -71.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.662 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.046 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 8.7 pt-20 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 17.9 Cg_endo -75.04 167.88 26.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -135.64 141.2 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.734 HD22 ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.726 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -122.78 141.0 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.676 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.13 124.11 45.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.85 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.843 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.62 100.48 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.86 -159.33 22.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.609 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 2.3 m120 -134.52 111.18 11.53 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 9.92 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.591 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . -54.22 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.92 -129.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.41 -33.75 68.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.677 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -68.39 -29.32 67.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.609 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -75.87 -38.24 58.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.582 ' O ' ' C ' ' A' ' 20' ' ' THR . 5.7 tpt180 -57.82 -45.83 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.684 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 51.5 p -22.48 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.768 HH21 HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER 161.97 -11.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.72 2.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.66 ' O ' HG23 ' A' ' 27' ' ' VAL . 60.2 t30 -112.31 36.17 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.785 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -61.52 -62.44 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.685 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -33.99 -62.01 0.48 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CG ' ' OH ' ' A' ' 68' ' ' TYR . 2.7 t80 -66.94 -35.4 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.768 HG21 HH21 ' A' ' 21' ' ' ARG . 2.5 t -62.22 -41.94 93.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.2 t -69.98 -51.39 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.916 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.41 -47.38 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 6.1 t70 -67.04 -30.2 70.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.497 HD22 ' SG ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -64.31 -60.37 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.911 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 4.2 mt -53.63 -50.35 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -52.52 -36.05 54.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -44.54 11.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.12 -168.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.911 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -90.87 -13.91 58.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 52.86 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.71 67.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.873 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -145.28 -151.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.979 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 1.3 mtmt -151.44 -166.44 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.576 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -161.32 108.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER 179.02 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.506 ' HG3' HG11 ' A' ' 50' ' ' VAL . 17.0 mmmt 58.89 -172.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -31.69 49.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.216 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.6 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -71.93 -39.75 69.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 97.02 56.03 1.16 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.518 1.137 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.598 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -143.22 -179.36 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 mm-40 -83.69 146.88 27.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.7 m -144.02 107.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.873 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -115.55 109.64 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.01 150.67 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.12 134.12 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -141.03 98.47 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -162.33 -163.27 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.71 27.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.69 47.6 87.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.3 OUTLIER 177.15 152.85 0.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 110.347 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.09 178.49 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.2 pp -175.95 122.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 6' ' ' LEU . 8.1 t -106.13 114.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.916 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -104.45 126.01 51.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.565 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -142.64 165.61 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -176.03 121.23 0.31 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.648 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.06 -157.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.606 1.845 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.501 ' C ' ' N ' ' A' ' 68' ' ' TYR . 21.8 mmt180 -81.96 -83.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.87 -19.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.735 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.663 ' CA ' HD13 ' A' ' 10' ' ' LEU . 8.2 ttt -34.35 -93.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.32 -37.39 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.547 ' OE2' ' CZ ' ' A' ' 74' ' ' ARG . 2.6 mm-40 -56.48 -31.07 63.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.735 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.9 t -78.05 -56.25 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.923 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.55 -52.82 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.969 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.67 -44.55 49.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 0.728 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.3 tm0? -46.67 -50.51 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.791 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.9 mt -67.38 -46.56 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.401 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.11 -68.1 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.969 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -74.94 -45.82 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.3 OUTLIER -54.96 -39.47 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.51 -50.21 59.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -16.0 60.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.676 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -81.98 -37.61 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.664 ' HB3' HG23 ' A' ' 85' ' ' VAL . 2.7 m-85 -80.2 -10.79 59.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.49 12.01 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 83' ' ' TYR . 23.6 t -93.46 150.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -83.87 165.16 40.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.554 ' HA ' HG22 ' A' ' 90' ' ' ILE . 18.2 Cg_endo -74.91 -18.04 19.29 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.582 1.833 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.16 -9.26 15.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 6' ' ' LEU . 69.3 m-20 -110.61 -20.39 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.734 ' CD1' HD22 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -87.47 138.72 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.726 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -138.45 123.03 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.676 HG22 ' CG2' ' A' ' 8' ' ' VAL . 58.7 t -103.96 137.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.946 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -117.06 146.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 1.0 ' O ' HD12 ' A' ' 135' ' ' ILE . 9.3 t-160 -151.5 164.98 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.69 ' CG ' HD23 ' A' ' 24' ' ' LEU . 4.1 t0 -99.65 140.82 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.9 t0 -155.09 152.35 29.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.653 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -82.13 129.65 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.4 -79.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.52 -69.99 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.16 164.44 13.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 110.238 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -93.48 22.37 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -154.98 54.61 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.8 tmm_? -134.11 156.72 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.798 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.9 pp -123.76 159.51 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -143.79 112.93 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.798 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.7 139.3 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 172.13 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.714 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.6 OUTLIER -98.69 -93.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.714 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -105.28 40.73 2.37 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -37.53 -87.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.72 149.64 5.38 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.482 ' OE1' HG11 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -76.12 74.95 2.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 0.808 . . . . 0.0 110.253 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.12 -83.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.555 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -139.09 80.42 0.28 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 88.5 m-70 -163.59 112.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.476 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 2.0 m-20 -54.45 -33.06 58.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.78 -67.32 2.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.698 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.2 mt -48.18 -42.15 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.537 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.68 -31.7 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 110.372 179.933 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 5.5 t -74.97 -28.16 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.923 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.07 -43.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.846 HG23 ' CE2' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -66.71 -46.17 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.455 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.13 -37.55 78.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -67.55 -45.38 75.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.673 HD11 HG21 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -78.85 -20.6 49.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.36 2.19 87.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 74.45 130.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.6 mmtt -179.47 32.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.7 m-20 81.88 98.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.846 ' CE2' HG23 ' A' ' 122' ' ' VAL . 6.3 p90 -127.05 160.8 30.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.474 ' HB2' HG22 ' A' ' 91' ' ' ILE . 78.5 mt-30 -108.18 155.3 20.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 3.5 tpp180 -140.63 163.48 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.946 ' HB ' HG22 ' A' ' 93' ' ' ILE . 24.3 t -153.17 85.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -89.38 141.91 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.0 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.5 mp -96.35 147.35 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.8 103.64 2.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.727 HD12 HG22 ' A' ' 150' ' ' VAL . 1.8 pp -121.67 81.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.998 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.46 82.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -75.21 -29.76 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.727 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -63.91 -41.46 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 17' ' ' TYR . 1.1 mt -93.89 39.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 4.6 tt0 -75.75 -101.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.638 ' C ' ' H ' ' A' ' 155' ' ' THR . 7.9 t-20 162.99 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.854 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -67.15 30.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.638 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -23.68 -48.95 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.806 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.98 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.768 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.799 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -75.22 -26.83 59.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.854 ' N ' ' O ' ' A' ' 154' ' ' PHE . 19.9 mt-10 -81.04 -40.23 24.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -66.47 -34.95 79.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 0.0 110.276 -179.935 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.672 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.39 -38.93 48.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 165' ' ' ILE . 5.1 mm-40 -77.87 -34.78 51.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.522 ' O ' ' SG ' ' A' ' 166' ' ' CYS . 1.5 t -52.64 -51.88 69.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.07 -30.69 6.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.555 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 4.2 m -55.11 -55.05 35.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.702 HD11 ' CG2' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -78.08 -48.45 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.693 ' N ' HD13 ' A' ' 165' ' ' ILE . 54.1 m -49.31 -47.52 46.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -65.58 -46.13 80.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 164' ' ' THR . 5.7 tm0? -65.32 -44.96 86.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.922 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.798 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.73 -34.54 67.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -57.31 -49.08 77.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 15.4 m-20 -68.94 -40.73 78.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.84 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.41 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 169' ' ' ALA . 7.2 m -63.48 -51.32 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -59.34 -43.68 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -68.63 -36.19 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.8 tt -55.2 -50.74 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -76.91 -21.81 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.85 -58.88 6.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -119.13 -73.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -154.79 -171.75 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 185' ' ' GLN . 7.7 ptp -88.71 -18.62 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -46.65 -48.44 49.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.667 ' HB2' HD23 ' A' ' 175' ' ' LEU . 18.4 Cg_endo -74.92 -37.75 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.456 1.766 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.658 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.46 -36.87 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.627 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.2 tt0 -71.16 -39.98 71.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 1.054 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.4 t-20 -82.63 -21.93 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.17 -55.14 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.912 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.84 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -76.21 -57.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.627 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -65.37 -6.51 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.676 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 1.054 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.67 97.35 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.409 ' CH2' HG22 ' A' ' 164' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.02 152.21 40.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -132.3 140.1 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.1 tt -107.57 143.6 35.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 HG12 ' A' ' 91' ' ' ILE . 2.0 t -126.34 139.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.693 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.14 120.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.19 106.68 3.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -92.47 98.63 11.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -123.37 -141.16 5.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.599 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 4.7 m-20 -140.28 130.73 13.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.506 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 139.35 24.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.34 113.89 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -42.82 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 44.38 -140.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.578 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 2.0 t80 -64.81 -17.21 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -72.56 -42.01 65.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.524 ' O ' ' C ' ' A' ' 20' ' ' THR . 8.7 tpt85 -37.76 -48.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 152' ' ' GLU . 30.6 p -28.61 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.636 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 166.68 -15.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.484 ' CD2' HH21 ' A' ' 21' ' ' ARG . 0.1 OUTLIER -54.21 -3.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.513 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 27' ' ' VAL . 59.8 t30 -120.69 44.01 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.969 HD12 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -62.2 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -34.16 -64.78 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ASP . 1.3 t80 -63.36 -34.87 78.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.8 t -58.01 -41.13 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.765 HG12 HD12 ' A' ' 32' ' ' LEU . 86.4 t -77.38 -51.07 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -56.89 -34.46 67.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 6.4 m-20 -69.7 -54.24 14.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -56.95 -53.87 53.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.765 HD12 HG12 ' A' ' 28' ' ' VAL . 7.1 mt -57.15 -51.66 68.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -62.06 -24.52 67.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.27 -30.95 58.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -44.18 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -39.92 92.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.39 -8.6 79.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.31 141.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.872 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 64.3 m-85 -60.1 156.84 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 1.6 mttp -118.32 175.4 5.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 43' ' ' HIS . . . -126.68 153.56 45.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 48' ' ' ALA . 6.6 t-160 71.55 -85.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.577 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.14 52.8 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.453 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 71.66 -70.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 110.297 -179.95 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.611 ' CB ' HD11 ' A' ' 79' ' ' LEU . 2.1 p -39.51 -44.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 43' ' ' HIS . . . 100.01 49.89 1.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -171.72 -176.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 3.7 tp10 -84.38 149.35 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.257 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 63' ' ' ALA . 8.2 p -170.41 157.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -171.76 124.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.29 151.25 46.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.404 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -140.6 133.39 5.91 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -140.48 105.42 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.414 0.714 . . . . 0.0 110.343 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.44 -173.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.07 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.07 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.41 58.82 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.489 ' HB3' ' CG2' ' A' ' 177' ' ' ILE . 0.6 OUTLIER -178.65 157.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.606 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -79.0 179.01 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 176.87 116.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.9 t -108.92 116.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 ' HB ' ' A' ' 7' ' ' VAL . 3.4 mm? -102.75 127.4 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.525 ' HB2' HG23 ' A' ' 50' ' ' VAL . . . -144.23 168.96 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 178.19 122.92 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.781 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.0 -154.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.5 mmt-85 -87.25 -88.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.61 -23.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 108.269 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.4 m-85 63.38 -79.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.879 ' HA ' HD13 ' A' ' 10' ' ' LEU . 12.0 ttm -29.28 -99.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.58 -32.31 73.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.573 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 1.7 mt-10 -60.4 -38.64 84.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.882 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.0 t -71.85 -47.05 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -50.4 -49.14 39.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 1.079 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.85 -38.15 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.572 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 3.3 mm-40 -60.26 -44.98 94.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.693 HG12 HG11 ' A' ' 8' ' ' VAL . 57.9 mt -69.18 -51.13 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.6 -61.9 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 1.079 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.03 -40.56 67.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.96 -50.95 60.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -74.45 -16.9 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' VAL . 6.3 m-85 -78.18 0.39 25.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p 51.33 46.21 26.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.382 1.051 . . . . 0.0 110.064 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' TYR . 53.2 t -119.05 165.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.474 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -82.75 155.78 68.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HG3' ' HB3' ' A' ' 128' ' ' LYS . 18.1 Cg_endo -75.03 -19.35 17.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.51 -5.14 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.61 ' O ' ' N ' ' A' ' 6' ' ' LEU . 73.3 m-20 -106.63 -18.64 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 131' ' ' GLN . 40.7 mt -88.75 137.42 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.939 HG12 HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 117.63 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.8 p -102.72 124.81 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -102.91 146.8 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.578 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 9.2 t-160 -158.93 -171.88 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.545 ' HB2' ' CD1' ' A' ' 137' ' ' ILE . 1.2 p-10 -85.65 138.53 32.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.659 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.3 t0 -121.18 116.39 24.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.508 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -79.61 49.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.57 -71.81 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.674 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 5.5 tp -132.97 -132.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER -88.61 165.66 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.731 ' HZ ' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -74.82 131.96 41.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 134.24 8.15 2.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 135' ' ' ILE . 4.1 mmm-85 -134.47 166.33 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.985 HG23 HD11 ' A' ' 165' ' ' ILE . 1.1 pp -123.64 160.84 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.96 88.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 1.001 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -103.52 139.98 38.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.219 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.6 ' N ' HD22 ' A' ' 106' ' ' LEU . 1.3 mtmt -150.38 -171.95 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 130' ' ' PHE . 1.6 tp -129.13 -87.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.769 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -79.98 52.68 4.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.47 1.106 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -78.02 -110.01 0.18 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 174.13 118.81 0.52 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.736 ' CD ' HG21 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -45.77 -65.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.796 . . . . 0.0 110.302 -179.925 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.94 -107.15 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -110.17 68.87 0.21 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -142.53 118.51 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -70.68 -40.63 72.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -65.28 -60.78 6.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.102 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 122' ' ' VAL . 11.5 mt -53.68 -48.28 69.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.355 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -59.12 -34.72 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.403 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t -70.81 -30.74 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.503 HG22 ' HA2' ' A' ' 73' ' ' GLY . 2.6 t -70.75 -43.12 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.975 HG22 ' CE2' ' A' ' 130' ' ' PHE . 5.1 t -73.46 -27.89 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.22 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -75.78 -44.11 43.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 80' ' ' ALA . 19.2 mt -78.56 -21.42 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.96 8.17 82.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.579 1.174 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.502 ' OG1' ' CG1' ' A' ' 122' ' ' VAL . 0.5 OUTLIER 72.26 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 110.388 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.55 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -163.02 25.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.6 OUTLIER 80.36 101.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.975 ' CE2' HG22 ' A' ' 122' ' ' VAL . 5.7 p90 -133.87 176.67 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.527 ' CG ' HD13 ' A' ' 108' ' ' ILE . 84.1 mt-30 -111.56 154.46 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.49 HH12 ' N ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -144.26 149.35 36.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 1.001 HG22 ' HB2' ' A' ' 106' ' ' LEU . 23.0 t -133.34 87.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.7 mtp180 -95.43 127.16 41.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.969 HD13 HD12 ' A' ' 24' ' ' LEU . 4.9 mp -88.93 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . -84.71 89.67 1.6 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.573 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -115.0 102.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.674 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.48 67.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.32 -31.64 58.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.861 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -68.13 -37.25 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.861 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -99.21 43.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.793 ' O ' HG22 ' A' ' 20' ' ' THR . 2.1 tt0 -81.91 -97.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 110.385 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.619 ' C ' ' H ' ' A' ' 155' ' ' THR . 18.4 t30 164.66 48.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.861 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.7 ' CG ' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.98 28.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.619 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -28.11 -50.83 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.648 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.9 -62.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.7 ' HB3' ' CG ' ' A' ' 154' ' ' PHE . . . -50.39 -45.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.93 ' HG2' HG23 ' A' ' 162' ' ' VAL . 17.3 tt0 -71.76 -30.41 65.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.83 -43.92 90.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.731 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.14 -34.38 56.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.946 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.8 mm-40 -75.25 -37.76 60.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.93 HG23 ' HG2' ' A' ' 158' ' ' GLU . 1.2 t -53.3 -50.68 81.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -26.22 11.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.558 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 8.2 m -65.89 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.985 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -67.01 -53.18 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.836 ' N ' HD13 ' A' ' 165' ' ' ILE . 46.7 t -46.1 -48.05 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.8 tt0 -57.78 -46.74 84.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.652 ' O ' HG21 ' A' ' 188' ' ' VAL . 27.2 mm-40 -64.09 -47.79 78.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.965 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.64 -38.87 80.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.93 -43.07 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 37.0 m-20 -67.05 -46.27 74.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.692 ' HB2' ' CB ' ' A' ' 188' ' ' VAL . . . -58.21 -45.81 86.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.5 m -66.17 -50.49 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -57.84 -47.32 83.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.51 -39.48 88.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.1 tt -51.09 -51.33 54.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.489 ' CG2' ' HB3' ' A' ' 58' ' ' ARG . 31.6 mt -75.04 -24.47 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.48 -43.15 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -71.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.5 172.39 32.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -16.4 27.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.4 mt-10 -51.95 -46.31 92.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.0 -38.3 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.422 1.748 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 172' ' ' ALA . . . -65.31 -39.79 92.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.561 ' HA ' ' CB ' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.14 -38.47 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.747 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -81.67 -18.78 43.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.2 ttt180 -95.72 -54.4 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.692 ' CB ' ' HB2' ' A' ' 172' ' ' ALA . 50.1 t -90.04 -58.01 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 185' ' ' GLN . 22.4 t-80 -68.13 22.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.93 -41.47 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.46 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -125.18 166.31 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.226 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 7' ' ' VAL . 1.5 tt -117.41 144.6 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.82 ' HB ' HD22 ' A' ' 62' ' ' LEU . 23.7 t -127.88 143.46 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.523 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.31 124.72 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.403 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -103.76 111.44 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -90.76 104.48 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.47 -148.19 10.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 1.03 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 3.5 t-20 -135.46 118.8 12.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -12.1 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.628 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -59.1 -116.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 166.82 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -47.98 -35.83 11.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -20.24 20.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 1.03 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -71.43 -32.34 68.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 21' ' ' ARG . 2.1 mpt_? -50.37 -36.26 31.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.637 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 34.8 p -61.92 -2.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.49 179.911 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.637 ' CB ' ' O ' ' A' ' 20' ' ' THR . 1.6 tpp180 95.96 11.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.469 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -67.58 9.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.577 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.65 ' O ' HG23 ' A' ' 27' ' ' VAL . 64.4 t30 -126.94 34.63 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.104 HD22 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.81 -43.79 94.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -50.81 -56.75 12.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.0 t80 -76.46 -25.34 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.4 t -71.23 -42.83 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.638 HG11 HD13 ' A' ' 93' ' ' ILE . 1.6 t -70.71 -51.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.04 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.1 m-20 -66.33 -48.26 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.65 -58.62 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -59.47 -29.36 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -77.48 -25.18 50.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.96 -27.07 36.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.61 1.194 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.02 -42.81 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -44.05 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.45 -8.04 80.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.82 146.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.97 85.23 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.914 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 58.6 m-85 -62.57 -173.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -155.31 -169.37 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -167.74 122.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -119.81 -174.61 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.07 -179.8 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 69.47 -72.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.539 ' O ' HD11 ' A' ' 79' ' ' LEU . 6.4 p -150.53 33.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -107.1 -57.83 0.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.89 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 47.2 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.373 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.34 137.7 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -174.37 166.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.914 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -171.52 126.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.41 150.69 25.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -139.93 129.77 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.587 1.179 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.26 99.03 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 57' ' ' GLY . 65.6 p -169.08 -160.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.928 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.79 27.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.14 48.56 78.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 172.13 154.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 0.716 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -79.92 177.06 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 173.96 123.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t -106.93 115.95 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.82 HD22 ' HB ' ' A' ' 7' ' ' VAL . 2.2 mm? -93.52 120.79 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . . . -127.99 167.02 17.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 178.66 115.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.89 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.98 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 68' ' ' TYR . 24.2 mmt85 -83.55 -84.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.658 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -46.39 -20.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.71 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.8 m-85 63.12 -78.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.675 ' HA ' HD13 ' A' ' 10' ' ' LEU . 1.5 ttp -38.6 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.596 ' HB2' ' HE1' ' A' ' 69' ' ' MET . 10.0 t-20 -60.92 -31.91 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.03 -47.1 86.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.71 ' N ' ' O ' ' A' ' 68' ' ' TYR . 43.9 t -64.24 -53.45 48.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.836 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.22 -52.14 7.22 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.18 -47.15 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 0.803 . . . . 0.0 110.264 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.694 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 2.4 mm-40 -48.91 -48.86 42.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.32 -47.95 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.514 ' HA3' ' HB1' ' A' ' 124' ' ' ALA . . . -28.92 -68.34 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.04 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.87 -40.14 66.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.46 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -15.97 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.672 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -76.32 -44.02 38.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.41 3.87 22.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.3 t 51.16 45.38 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.45 151.02 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 157.69 63.96 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.519 ' CG ' ' HB3' ' A' ' 128' ' ' LYS . 18.0 Cg_endo -74.96 -17.1 19.92 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.21 -8.65 33.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.847 ' O ' HD12 ' A' ' 5' ' ' LEU . 13.9 m-20 -114.65 -14.58 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 67.6 mt -89.15 121.9 39.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.755 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -125.34 119.16 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.5 p -101.37 121.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.006 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -100.81 142.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.911 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.9 t-160 -157.44 -178.18 7.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.675 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.588 ' CB ' HD12 ' A' ' 24' ' ' LEU . 1.5 p30 -107.41 140.12 40.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 135' ' ' ILE . 11.7 t0 -145.76 152.74 40.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.624 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.7 OUTLIER -86.63 115.22 23.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.46 -83.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.528 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 2.8 mt -129.67 -81.73 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.1 mp0 -94.06 173.09 7.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -96.65 31.52 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.533 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -150.44 45.13 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -138.59 157.58 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.277 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.942 HG22 HG13 ' A' ' 135' ' ' ILE . 0.9 OUTLIER -123.31 159.55 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.617 ' C ' HD13 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -147.63 108.6 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.344 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 1.095 ' HB3' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -112.73 140.78 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 0.6 OUTLIER -144.12 -174.98 4.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.703 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.1 tp -119.35 -85.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.703 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -118.81 67.5 0.37 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.32 -97.39 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.634 ' N ' HH12 ' A' ' 132' ' ' ARG . . . -157.54 132.02 3.07 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -46.62 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 0.715 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.86 78.35 1.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 41.02 83.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.534 ' CE1' ' CE1' ' A' ' 94' ' ' HIS . 1.0 OUTLIER -167.43 110.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 0.702 . . . . 0.0 109.561 -179.923 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -63.1 -33.89 76.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.659 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -58.32 -63.53 5.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 122' ' ' VAL . 4.6 mt -54.59 -50.87 67.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -35.01 68.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 m -68.01 -34.33 76.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.836 HG22 ' HA2' ' A' ' 73' ' ' GLY . 46.1 t -71.23 -41.46 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.886 HG13 ' HE2' ' A' ' 130' ' ' PHE . 10.6 t -70.03 -29.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.71 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -80.58 -47.13 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.688 HD21 ' CB ' ' A' ' 80' ' ' ALA . 14.6 mt -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.883 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.92 4.05 65.9 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.663 ' OG1' ' CE2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER 73.76 139.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 0.0 110.452 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.9 OUTLIER -169.0 28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.682 ' O ' HD11 ' A' ' 108' ' ' ILE . 11.6 t0 86.47 22.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.886 ' HE2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -52.04 174.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 91' ' ' ILE . 58.7 mt-30 -119.21 150.7 39.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.216 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.634 HH12 ' N ' ' A' ' 111' ' ' GLY . 0.1 OUTLIER -138.94 151.18 46.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 1.095 HG22 ' HB3' ' A' ' 106' ' ' LEU . 10.8 t -136.68 80.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.2 mpp_? -88.91 144.71 26.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.104 HD13 HD22 ' A' ' 24' ' ' LEU . 4.2 mp -98.32 150.51 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . -95.05 101.23 2.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.897 HD11 HG21 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -107.61 103.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.86 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 152' ' ' GLU . 1.2 t80 -71.43 -29.01 64.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.897 HG21 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -73.88 -32.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 39.2 mt -94.65 30.45 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 6.9 mm-40 -83.57 -100.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 155' ' ' THR . 19.2 t30 160.02 57.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.881 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -65.97 27.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.657 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -11.93 -55.65 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.655 1.222 . . . . 0.0 110.423 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.776 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.81 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.881 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -40.42 -29.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 162' ' ' VAL . 7.6 mt-10 -80.94 -42.56 21.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.027 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.44 -32.39 62.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.648 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.03 -41.02 60.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.887 ' O ' HG22 ' A' ' 165' ' ' ILE . 9.0 tp10 -78.05 -35.37 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.2 t -49.51 -52.5 49.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.027 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.91 -33.01 5.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.568 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 18.2 m -55.32 -53.28 58.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.19 . . . . 0.0 110.409 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.887 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.06 -52.08 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.853 ' N ' HD13 ' A' ' 165' ' ' ILE . 56.0 m -45.84 -48.27 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 108.298 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -64.79 -48.67 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.646 ' HB3' ' CZ2' ' A' ' 191' ' ' TRP . 0.6 OUTLIER -63.27 -47.81 80.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.486 ' CB ' HG12 ' A' ' 104' ' ' ILE . . . -68.94 -35.57 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.56 -48.13 75.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.8 t0 -67.62 -42.05 82.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.592 1.182 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.888 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.38 -35.73 81.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.6 m -64.07 -50.62 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -56.98 -47.01 81.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 178' ' ' GLU . 0.6 OUTLIER -63.13 -35.44 80.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.71 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -56.87 -51.14 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.3 -27.09 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.1 OUTLIER -59.53 -72.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -75.25 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.236 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -160.66 -170.61 25.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' A' ' 185' ' ' GLN . 25.0 ptt? -89.43 -12.66 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.539 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -50.81 -49.24 80.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -74.96 -37.22 2.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.398 1.736 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.54 -44.32 87.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.8 tt0 -67.34 -37.09 82.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 1.013 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.5 t-20 -81.91 -24.4 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.55 -57.87 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.352 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.888 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.31 -55.0 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -70.09 -13.87 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 1.013 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.62 93.53 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.378 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.646 ' CZ2' ' HB3' ' A' ' 168' ' ' GLN . 20.0 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.999 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.419 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.7 Cg_endo -74.95 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.486 1.782 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.1 mt -136.76 142.84 43.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.573 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -111.44 142.28 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.767 HG22 ' HA ' ' A' ' 62' ' ' LEU . 1.2 m -126.29 143.63 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.606 HG11 ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.06 122.19 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.75 108.18 3.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.913 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -89.58 94.13 9.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.402 0.707 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 68' ' ' TYR . . . -116.3 -149.63 9.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 22' ' ' HIS . 24.6 t-20 -136.61 127.16 16.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.03 -24.92 12.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.72 178.61 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -131.21 -179.0 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 m120 56.17 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.893 ' CE1' HD22 ' A' ' 151' ' ' LEU . 4.1 t80 -68.39 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.467 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -77.37 -40.75 42.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.1 tpt180 -51.38 -47.01 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.674 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 63.5 p -24.83 -45.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.674 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.63 -15.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -54.27 -4.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.719 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.7 t-20 -111.29 35.89 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.884 HD12 HD13 ' A' ' 135' ' ' ILE . 0.5 OUTLIER -65.17 -67.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -34.74 -60.36 0.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -63.93 -35.57 81.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.0 t -59.67 -42.03 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.887 HG21 HD11 ' A' ' 93' ' ' ILE . 26.5 t -71.09 -50.22 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -57.74 -45.71 85.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.4 t0 -59.15 -43.49 92.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -59.22 -62.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -58.5 -30.53 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.662 ' CB ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.53 -24.52 53.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -29.43 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -43.44 16.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -48.34 66.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.34 -8.85 79.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.74 144.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -90.42 61.15 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.917 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 40.0 m-85 -34.41 152.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -115.54 178.42 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.336 179.922 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.59 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -153.44 96.5 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 2.8 t60 179.82 -146.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.13 . . . . 0.0 109.647 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 87.64 161.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -27.87 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.046 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.866 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -82.14 -23.63 35.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 58.98 70.1 1.09 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.829 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -152.82 177.72 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.59 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 1.5 tp10 -89.47 149.32 22.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.6 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 10.5 p -175.01 158.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -163.67 128.91 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.34 126.76 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -114.32 107.47 1.85 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.64 107.76 17.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.51 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.22 -155.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 42.8 27.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.49 40.44 98.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.147 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.51 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 176.7 157.22 0.29 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 0.743 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -81.45 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -167.12 120.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 6' ' ' LEU . 37.2 t -101.0 110.73 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.767 ' HA ' HG22 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -91.97 116.89 29.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.45 161.61 28.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.87 110.46 0.24 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.829 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.03 -158.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.509 ' C ' ' N ' ' A' ' 68' ' ' TYR . 35.3 mmt180 -84.92 -85.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.597 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -44.39 -22.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 108.288 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 63.13 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.913 ' HA ' HD13 ' A' ' 10' ' ' LEU . 62.6 ttp -36.47 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.446 ' N ' ' HG2' ' A' ' 69' ' ' MET . 16.8 m120 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.592 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -57.61 -38.38 74.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.729 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.9 t -73.34 -55.78 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.54 -52.05 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.977 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.18 -48.18 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 1.9 tt0 -42.74 -51.29 5.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 5.7 mt -67.21 -44.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.86 -69.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.977 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.866 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.88 -39.38 62.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.8 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.89 -48.67 62.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.212 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -15.24 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -76.95 -45.11 28.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.527 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 16.6 m-85 -84.99 -10.93 56.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t 54.1 50.3 16.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.556 HG12 ' H ' ' A' ' 86' ' ' ALA . 2.2 t -95.98 173.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.556 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -81.56 153.6 70.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.99 -34.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.19 2.61 6.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.717 ' HA ' HD23 ' A' ' 5' ' ' LEU . 57.2 m-20 -103.05 -22.03 13.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 47.4 mt -86.8 133.25 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -135.96 119.24 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 132' ' ' ARG . 7.3 p -108.12 123.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.887 HD11 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -103.65 146.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 1.019 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.8 t-160 -152.93 -177.1 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.502 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 4.7 p-10 -110.24 141.42 43.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.546 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -149.33 157.41 43.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.49 113.25 25.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.478 ' O ' HD22 ' A' ' 99' ' ' LEU . 4.4 t0 -110.75 -70.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.561 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -136.29 -88.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 138' ' ' GLY . 35.8 mp0 -94.44 175.51 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.575 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -92.97 59.07 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.068 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.498 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -178.19 40.63 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.573 1.17 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.627 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp85 -133.26 158.83 41.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.897 HG23 ' CG1' ' A' ' 165' ' ' ILE . 0.9 OUTLIER -122.98 160.13 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.8 OUTLIER -148.02 108.33 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.22 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.818 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.66 139.23 42.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 7.4 mtpt -153.15 -178.78 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.745 HG23 ' H ' ' A' ' 109' ' ' GLY . 2.2 tp -97.45 -90.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.745 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -140.49 51.3 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.602 1.188 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -102.81 49.72 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.6 -118.42 0.59 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.428 ' CD ' ' CZ ' ' A' ' 132' ' ' ARG . 2.5 mt-10 73.32 72.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -81.21 56.46 4.86 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 15.2 m80 -157.67 105.31 2.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 0.723 . . . . 0.0 109.585 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.63 -44.07 80.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.414 ' HA3' HD22 ' A' ' 10' ' ' LEU . . . -55.47 -62.95 5.74 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.582 HD13 ' HE ' ' A' ' 132' ' ' ARG . 9.7 mt -51.78 -45.38 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.223 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.7 mtt180 -58.65 -34.63 71.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 41.4 t -73.89 -30.23 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.773 HG13 HD12 ' A' ' 125' ' ' LEU . 2.2 t -69.8 -44.41 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.63 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.34 -39.95 83.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.14 -35.25 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -75.97 -51.5 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' A' ' 80' ' ' ALA . 16.0 mt -80.13 -21.45 43.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.63 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 83.7 0.22 89.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 86.04 121.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.72 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.1 mmtt -163.01 24.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.72 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 73.5 m-20 103.53 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 32.1 m-85 53.7 149.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -107.66 159.61 16.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.582 ' HE ' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -139.2 148.69 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 106' ' ' LEU . 16.8 t -130.77 86.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.504 ' C ' ' HG3' ' A' ' 105' ' ' ARG . 3.8 mpp_? -86.3 163.49 17.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.019 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -112.36 152.78 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -102.76 87.62 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.653 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.23 99.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.386 0.697 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.561 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.576 1.172 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.86 -42.5 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -74.93 -29.9 61.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.578 HG13 ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -63.55 -33.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.893 HD22 ' CE1' ' A' ' 17' ' ' TYR . 11.6 mt -108.05 31.29 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.604 ' O ' HG22 ' A' ' 20' ' ' THR . 3.5 tp10 -68.81 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.608 ' C ' ' H ' ' A' ' 155' ' ' THR . 14.3 t-20 167.02 50.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.872 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -67.97 30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.98 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.67 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -9.4 -56.28 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.795 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.95 -80.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.872 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -41.92 -28.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.624 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 4.4 mt-10 -80.12 -42.42 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -75.5 -31.91 60.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.69 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -74.52 -41.31 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.757 ' O ' HG22 ' A' ' 165' ' ' ILE . 1.8 mm-40 -77.81 -36.39 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.2 t -48.33 -51.09 53.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 54.4 m -53.79 -53.59 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.972 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -77.15 -45.33 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.972 ' N ' HD13 ' A' ' 165' ' ' ILE . 13.6 m -50.86 -53.35 33.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 164' ' ' THR . 3.2 pt-20 -59.5 -47.19 86.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -60.58 -48.12 83.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.954 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.657 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -68.06 -36.52 79.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.64 -43.78 76.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 t0 -67.94 -45.48 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.047 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -60.15 -36.63 77.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.4 m -64.73 -52.73 55.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.652 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.29 -35.35 67.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.652 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -72.98 -41.36 64.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.781 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.1 tt -53.38 -42.48 66.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 56' ' ' ALA . 51.7 mt -77.82 -30.67 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.34 -32.36 73.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -159.6 -71.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.454 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.92 175.11 35.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -88.39 -16.6 32.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 111.034 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -46.81 -48.53 50.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.547 ' HG2' HD23 ' A' ' 175' ' ' LEU . 18.5 Cg_endo -74.98 -39.88 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -64.44 -36.92 85.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.38 -40.12 67.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.226 -179.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.935 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.1 t-20 -79.43 -20.48 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.54 -53.01 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.047 HG21 ' HB2' ' A' ' 172' ' ' ALA . 46.5 t -88.87 -57.57 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.2 t-80 -70.29 22.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.935 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -90.86 -31.57 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.521 ' CZ2' ' HD3' ' A' ' 103' ' ' ARG . 3.3 p-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.488 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -74.99 -175.95 2.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.083 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -122.77 125.94 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -111.77 138.61 48.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.78 HG12 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -133.44 143.83 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -132.97 116.88 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 64' ' ' LYS . . . -89.52 107.32 3.39 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.502 1.126 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.783 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.57 105.24 17.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -118.09 -147.34 8.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.517 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 21.6 t-20 -137.38 123.53 13.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.0 -25.26 12.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -58.42 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -155.64 -76.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -42.68 -45.87 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -89.48 -19.45 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -74.73 -28.74 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 21' ' ' ARG . 15.8 mmt85 -58.16 -13.49 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 p -75.82 22.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 65.06 8.85 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.568 ' CE1' ' NE2' ' A' ' 94' ' ' HIS . 34.2 t-80 -69.2 11.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.635 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.73 ' OD1' HG23 ' A' ' 27' ' ' VAL . 24.1 t-20 -111.11 -0.16 16.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.785 ' HB3' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -34.3 -59.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -35.84 -58.99 0.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CE2' ' OD2' ' A' ' 30' ' ' ASP . 30.5 t80 -80.79 -30.97 35.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.756 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.73 HG23 ' OD1' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -60.9 -47.28 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.724 HG13 HD12 ' A' ' 32' ' ' LEU . 2.1 t -74.36 -51.25 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.17 -35.25 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.623 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 57.3 m-20 -71.04 -56.0 7.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.37 -52.62 63.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.724 HD12 HG13 ' A' ' 28' ' ' VAL . 11.1 mt -58.35 -34.65 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -73.47 -54.87 7.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 -23.34 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 5.5 mpt_? -90.88 -57.1 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -60.61 -17.3 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.8 -5.46 82.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' A' ' 36' ' ' LEU . . . -32.56 144.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 0.732 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 52.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.681 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.35 -164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.12 -162.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -124.44 106.26 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.3 110.11 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.59 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -63.09 -53.52 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -45.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.817 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -60.31 -29.57 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 73.03 70.46 1.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 174.38 175.91 0.16 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.459 0.74 . . . . 0.0 109.398 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.8 mt-10 -85.21 145.96 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 10.3 m -145.11 118.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.681 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -114.08 110.73 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.35 124.95 40.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 -159.25 8.18 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.8 mtp180 -158.67 130.81 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -175.46 -170.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.488 ' H ' HG23 ' A' ' 177' ' ' ILE . . . 43.11 27.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 67.02 51.02 42.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 164.32 156.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 110.349 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.462 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -52.2 165.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.4 pp -143.59 113.01 6.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.503 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 25.9 t -106.54 102.52 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -106.85 104.62 14.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -120.48 173.54 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER 179.52 123.17 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.732 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -160.99 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.508 ' C ' ' N ' ' A' ' 68' ' ' TYR . 57.2 mmt-85 -79.43 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.14 -23.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.96 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.732 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.4 m-85 63.19 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.73 ' HA ' HD13 ' A' ' 10' ' ' LEU . 10.5 ttt -35.82 -93.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.667 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.7 t-20 -61.51 -41.43 97.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -50.65 -48.8 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 68' ' ' TYR . 35.9 t -61.07 -52.38 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.872 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.47 -51.1 3.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.967 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.05 -56.63 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.644 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -39.68 -49.49 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.933 HG23 HD21 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -68.76 -45.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 179.924 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.967 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.07 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.58 -39.78 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.763 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.33 -51.0 49.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -15.79 60.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -75.8 -43.45 46.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.95 -10.69 59.89 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.7 t 50.92 45.97 26.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 HD21 ' A' ' 89' ' ' ASN . 4.4 p -105.09 169.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.562 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.35 149.0 51.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.705 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.06 -12.66 21.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.56 -18.87 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.755 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -103.39 -11.77 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.608 ' CG2' ' CD2' ' A' ' 130' ' ' PHE . 0.7 OUTLIER -95.96 131.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.942 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.78 ' CD1' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -137.49 141.9 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.84 ' C ' HD13 ' A' ' 93' ' ' ILE . 22.0 t -113.51 131.19 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.84 HD13 ' C ' ' A' ' 92' ' ' VAL . 0.4 OUTLIER -103.44 138.91 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.918 ' O ' HD12 ' A' ' 135' ' ' ILE . 5.5 t-160 -159.83 172.13 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.57 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.753 ' OD1' HD13 ' A' ' 137' ' ' ILE . 9.2 t70 -111.45 141.73 44.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 13.5 t0 -141.96 151.85 42.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -102.51 103.93 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.414 ' C ' ' HA3' ' A' ' 138' ' ' GLY . 0.6 OUTLIER -106.21 -82.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.46 ' N ' ' HA3' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -137.83 -44.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.0 OUTLIER -87.39 125.66 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.25 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 154' ' ' PHE . 1.5 t80 -90.96 33.62 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.499 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -178.79 49.22 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 135' ' ' ILE . 21.7 mmt-85 -135.95 173.65 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.87 HG23 HD11 ' A' ' 165' ' ' ILE . 1.5 pp -123.82 156.27 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -145.92 113.44 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.872 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -120.27 127.86 52.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 166.4 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 109.277 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.567 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.1 OUTLIER -94.68 -55.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.34 60.63 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.26 88.52 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.94 -150.97 9.57 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.21 67.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.97 -49.76 26.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 176.12 66.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.464 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -118.84 147.31 44.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.547 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 120' ' ' SER . 6.2 m-20 -55.34 -63.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.511 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -56.74 -52.67 49.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.662 ' O ' HG12 ' A' ' 121' ' ' VAL . 11.9 mt -52.1 -50.58 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.386 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -67.96 -33.56 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 116' ' ' ASN . 33.5 t -72.51 -28.27 62.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.872 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.12 -43.18 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 126' ' ' GLY . 89.7 t -70.38 -30.62 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.8 -35.88 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -82.56 -43.25 17.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 130' ' ' PHE . 20.8 mt -79.61 -24.79 41.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 70.77 5.84 58.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.568 1.167 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.535 ' O ' ' CD ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER 56.83 158.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 110.404 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 5.7 tptt 170.14 35.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.626 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.9 t70 92.31 19.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 1.061 ' CE2' HD13 ' A' ' 125' ' ' LEU . 28.3 m-85 -54.37 166.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.521 ' OE1' HG22 ' A' ' 91' ' ' ILE . 75.4 mt-30 -109.89 154.65 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.55 147.4 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.805 ' HB ' HD12 ' A' ' 93' ' ' ILE . 58.5 t -135.41 83.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -90.53 144.06 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.918 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.8 mp -95.52 149.46 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -93.67 107.18 3.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.753 HD13 ' OD1' ' A' ' 95' ' ' ASP . 1.0 OUTLIER -116.6 19.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.46 ' HA3' ' N ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -59.45 -42.17 91.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -77.28 -27.71 53.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.701 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -69.16 -30.74 47.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.374 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 151' ' ' LEU . 13.7 mt -83.24 7.86 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 4.9 tp10 -109.65 -117.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 6.0 t-20 152.08 144.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 1.033 ' CG ' ' HB3' ' A' ' 157' ' ' ALA . 0.0 OUTLIER -79.03 39.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.68 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -6.42 -58.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.772 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -78.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 1.033 ' HB3' ' CG ' ' A' ' 154' ' ' PHE . . . -44.34 -29.67 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.647 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -78.47 -37.35 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.002 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -57.93 -45.67 86.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.68 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.77 -33.85 52.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 1.04 ' O ' HG22 ' A' ' 165' ' ' ILE . 78.9 mt-10 -75.08 -38.28 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -52.47 -52.78 60.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.002 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.93 -26.45 11.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.636 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.6 m -64.58 -58.05 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 1.04 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -69.0 -54.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.231 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.684 ' N ' HD13 ' A' ' 165' ' ' ILE . 61.5 m -43.61 -44.0 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.06 -42.4 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 165' ' ' ILE . 0.1 OUTLIER -67.35 -46.87 72.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.853 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.94 -36.42 82.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -63.44 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.2 t0 -68.02 -43.94 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.056 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.22 -42.66 86.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.39 -52.22 54.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -56.68 -48.27 78.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -63.13 -37.97 89.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.759 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.6 tt -55.64 -44.62 77.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.488 HG23 ' H ' ' A' ' 56' ' ' ALA . 9.2 mt -73.55 -27.84 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.94 -41.84 97.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -150.76 -71.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.439 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -155.96 176.33 33.47 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.409 ' HB3' ' HG ' ' A' ' 176' ' ' LEU . 8.1 ptp -89.14 -15.38 33.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.0 OUTLIER -46.41 -48.12 46.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.93 -39.1 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.52 -38.34 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.599 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.32 -39.56 65.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.886 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 35.1 m-20 -79.54 -19.54 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.61 -53.17 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.056 HG21 ' HB2' ' A' ' 172' ' ' ALA . 18.9 t -87.19 -66.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.599 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.8 t-80 -53.48 -12.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.672 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -117.45 67.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.672 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 19.4 m-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 152.5 40.97 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.649 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -119.59 126.97 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.755 HD22 HG12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -104.33 143.74 32.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.974 HG12 ' CG1' ' A' ' 91' ' ' ILE . 3.7 m -131.32 140.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -135.45 120.4 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.41 110.39 3.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.588 1.18 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.887 HD13 ' CA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -97.44 98.55 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.67 -148.54 8.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.63 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 20.9 t-20 -129.81 119.83 19.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.02 150.72 38.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.763 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 43.3 -164.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.408 1.067 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.6 104.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 0.781 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -56.39 -17.83 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 151' ' ' LEU . 10.7 t80 -68.05 -17.59 64.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 12' ' ' ASN . . . -71.09 -36.36 72.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.0 tpt85 -44.88 -44.48 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.571 HG21 ' O ' ' A' ' 151' ' ' LEU . 62.8 p -34.12 -34.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.814 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.2 mtt-85 155.89 -16.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.609 ' CE1' HD21 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -58.3 0.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.681 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -117.36 30.14 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -58.44 -55.92 28.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -37.46 -64.83 0.68 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.067 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD1' ' HD2' ' A' ' 64' ' ' LYS . 6.1 t80 -69.76 -31.15 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.796 . . . . 0.0 111.021 179.93 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.3 t -60.82 -41.17 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.523 ' HB ' HD11 ' A' ' 93' ' ' ILE . 9.0 t -73.02 -51.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -59.03 -32.6 69.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.3 m-20 -68.55 -49.53 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.21 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.36 -56.33 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.92 -55.83 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.91 -20.1 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.22 -29.59 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -42.68 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -20.92 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.4 55.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.39 1.056 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.82 174.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 61.3 1.62 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.722 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.1 -162.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -155.28 -165.41 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -166.71 142.47 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' ALA . 6.0 t-80 -136.11 179.06 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.42 -165.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.2 tpm_? 34.65 -139.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.417 ' H ' ' CG ' ' A' ' 45' ' ' ARG . 84.7 p -72.53 52.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -128.99 -66.32 0.11 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 43.83 -170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.614 0.832 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -72.09 143.25 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -160.95 133.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.722 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -136.77 121.93 19.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 126.31 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.36 134.33 5.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 3.5 mtp180 -111.79 110.86 21.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 0.812 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 3.9 m -164.98 -176.89 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.49 17.63 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.259 179.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.16 38.86 38.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 tpm_? 177.22 158.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 1.6 t -74.46 168.82 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.1 pp -152.63 115.79 4.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.706 HG11 HD11 ' A' ' 6' ' ' LEU . 73.4 t -108.15 91.52 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.95 ' HA ' HG23 ' A' ' 7' ' ' VAL . 1.1 tm? -86.22 110.93 19.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.55 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . . . -126.1 173.98 8.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.611 ' CE ' HD11 ' A' ' 62' ' ' LEU . 1.4 pttp 173.14 119.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.756 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.13 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.1 mmt180 -80.08 -85.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.558 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.79 -15.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 108.338 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.635 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.5 m-85 60.3 -82.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.887 ' CA ' HD13 ' A' ' 10' ' ' LEU . 36.3 ttp -39.27 -90.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.689 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 26.3 m-20 -60.21 -44.45 95.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.2 OUTLIER -48.88 -42.99 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.635 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.5 m -64.7 -54.8 25.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.846 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.3 -52.38 3.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.609 1.193 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.62 -54.63 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.1 mm-40 -43.01 -48.65 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.728 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.4 mt -68.0 -44.16 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.4 -67.54 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.92 -47.34 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.65 -42.18 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.804 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.78 -49.61 65.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -16.42 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.731 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.1 t80 -75.98 -37.56 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -77.06 -9.53 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.6 p 48.55 45.25 21.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.62 173.23 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -79.7 129.59 70.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.606 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.0 Cg_endo -74.98 -1.17 10.87 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.71 -8.94 47.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 6' ' ' LEU . 9.6 p30 -101.79 -10.69 19.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.755 HG12 HD22 ' A' ' 6' ' ' LEU . 18.3 mt -85.76 134.65 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.974 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -136.26 115.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 8.8 p -100.63 129.97 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.245 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.915 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -107.13 145.76 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.992 ' O ' HD12 ' A' ' 135' ' ' ILE . 7.9 t-160 -153.65 169.08 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.462 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p30 -104.93 143.7 32.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.676 ' O ' HD13 ' A' ' 137' ' ' ILE . 4.4 t0 -151.64 166.49 31.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.584 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.9 OUTLIER -98.66 114.02 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -108.39 -84.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.431 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -138.16 -73.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -91.53 165.55 13.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -95.27 123.92 39.04 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.755 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 98.61 52.7 1.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.647 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -135.26 126.97 29.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.757 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.1 pp -102.12 153.07 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -147.76 115.69 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.814 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.63 138.0 41.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 12.8 mtpt -149.54 179.5 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 130' ' ' PHE . 1.4 tp -129.79 -87.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.766 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -61.83 -79.7 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -56.04 94.9 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . -170.07 -149.37 6.32 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 43.91 64.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.92 -95.81 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -125.49 80.19 0.36 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.46 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 77.4 m-70 -137.79 126.13 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.23 -44.86 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.461 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -62.72 -58.66 11.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.731 ' O ' HG12 ' A' ' 121' ' ' VAL . 12.4 mt -52.16 -46.83 65.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.517 ' O ' HG12 ' A' ' 122' ' ' VAL . 5.9 ttt180 -62.08 -32.31 72.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 7.8 t -74.1 -27.4 60.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.846 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.92 -43.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.8 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.41 -44.86 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.421 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.82 -35.85 72.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.23 -45.02 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.804 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -81.0 -22.26 39.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.81 4.54 76.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 77.72 122.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 21.1 tptt -167.84 30.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.5 m-20 88.36 117.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.837 ' O ' HD12 ' A' ' 108' ' ' ILE . 43.0 p90 -167.56 160.18 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -130.11 166.59 19.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.448 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -147.03 150.29 34.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.915 ' HB ' HG22 ' A' ' 93' ' ' ILE . 6.6 t -119.19 89.52 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.356 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 7.2 mtp180 -85.92 163.08 18.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.992 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.0 mp -122.09 142.67 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.95 91.8 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.944 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -104.5 102.66 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' A' ' 101' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -57.17 -43.85 82.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.66 -25.07 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.944 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -63.67 -43.24 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.609 HD21 ' CE1' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -110.7 35.16 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.594 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.0 OUTLIER -56.38 -81.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.651 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.3 t-20 148.69 50.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.805 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -66.65 27.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.651 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.76 -51.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.457 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.71 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.05 -71.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.805 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.15 -42.62 9.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.677 ' O ' ' N ' ' A' ' 162' ' ' VAL . 20.3 mt-10 -73.59 -30.91 63.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 1.038 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.04 -38.96 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.627 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.13 -36.23 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.391 179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 1.8 mm-40 -77.93 -33.9 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -55.69 -53.15 65.86 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.038 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -31.11 6.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.537 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -69.84 -49.55 51.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.755 HD13 ' O ' ' A' ' 102' ' ' GLY . 5.3 tp -72.85 -58.95 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.584 ' HB3' HD22 ' A' ' 31' ' ' LEU . 87.5 m -44.61 -47.76 10.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.0 tt0 -58.59 -47.76 83.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.603 ' CG ' ' CH2' ' A' ' 191' ' ' TRP . 1.1 tp60 -65.19 -42.68 93.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.757 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.63 -40.65 80.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.35 -42.68 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 11.3 m-20 -67.37 -44.63 78.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.997 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.29 -43.05 87.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.5 m -62.84 -52.19 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -60.08 -44.58 94.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -67.99 -42.79 80.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 176' ' ' LEU . 3.4 tt -50.2 -48.26 54.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -74.22 -28.27 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.89 -31.23 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -154.84 -72.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -163.75 173.02 39.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.5 1.125 . . . . 0.0 111.085 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.9 ppp? -84.27 -28.0 27.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -38.73 -51.62 3.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.96 -37.74 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.83 -38.53 91.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.627 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.05 -40.74 68.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.805 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 52.0 m-20 -78.06 -21.12 51.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -95.58 -52.37 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.997 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.8 t -89.11 -57.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.627 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 17.5 t-80 -67.16 21.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -140.15 78.63 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.603 ' CH2' ' CG ' ' A' ' 168' ' ' GLN . 14.0 m95 . . . . . 0 C--N 1.324 -0.51 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.5 Cg_endo -74.94 166.2 29.74 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.567 HD23 HD22 ' A' ' 89' ' ' ASN . 0.3 OUTLIER -121.49 135.97 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -108.85 144.34 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.031 HG12 ' CG1' ' A' ' 91' ' ' ILE . 1.4 m -131.58 140.96 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.38 125.36 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.01 113.72 4.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.629 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -91.8 117.26 29.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.54 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -135.08 -141.24 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 15' ' ' ALA . 1.1 m-20 -137.56 126.56 14.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.91 93.01 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.611 1.848 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 34.0 55.76 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.491 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . . . -101.43 150.58 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.381 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -60.71 -14.65 22.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.989 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -89.44 -17.99 27.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.0 -25.7 22.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.9 mmt180 -49.92 -43.24 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.989 HG22 ' O ' ' A' ' 17' ' ' TYR . 4.2 t -76.58 26.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.824 ' HB3' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 64.95 22.74 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.951 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.412 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.43 6.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.581 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' ARG . 60.9 t30 -126.43 35.56 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -61.28 -48.67 80.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.835 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -47.77 -47.06 24.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.8 t80 -82.83 -31.85 27.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.647 HG21 ' NH1' ' A' ' 21' ' ' ARG . 2.1 t -66.87 -37.74 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 24' ' ' LEU . 16.2 t -78.85 -52.43 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 1.091 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.71 -34.88 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.2 t70 -74.18 -49.13 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -61.63 -18.25 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -82.77 -26.7 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 6.5 mpt_? -99.38 -42.72 6.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -22.96 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.06 -4.02 82.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -32.05 148.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.7 60.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.722 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -79.46 -156.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -161.81 -161.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -136.79 145.49 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.52 145.06 35.33 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.41 -49.9 7.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.6 mtt180 -38.3 -46.9 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.814 ' CB ' HD11 ' A' ' 79' ' ' LEU . 3.5 m -92.17 -30.62 15.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.95 66.23 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.552 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -174.72 -172.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.595 ' OE1' ' CZ ' ' A' ' 40' ' ' PHE . 2.0 mm-40 -112.8 149.48 32.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 34.5 m -148.32 151.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -145.72 124.37 12.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.03 124.43 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.38 113.84 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -111.44 104.64 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -172.03 -159.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.545 ' CB ' HG22 ' A' ' 177' ' ' ILE . . . 40.68 29.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.0 48.1 87.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER 168.27 154.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 0.748 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -81.46 165.75 20.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.5 pp -154.73 109.28 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 6' ' ' LEU . 39.7 t -102.56 95.24 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 1.091 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -88.28 115.32 25.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -125.8 171.35 10.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.822 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER 179.21 112.94 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.689 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 -156.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.496 ' C ' ' N ' ' A' ' 68' ' ' TYR . 79.6 mmt-85 -83.17 -84.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.594 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -47.96 -18.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.333 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.753 ' O ' ' N ' ' A' ' 72' ' ' SER . 20.2 m-85 60.92 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER -37.5 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.65 -39.73 73.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -56.07 -36.62 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -72.26 -56.78 4.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.871 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.88 -52.1 3.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.46 -48.57 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.613 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.0 tm0? -45.64 -49.63 14.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.784 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.67 -46.68 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.93 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.02 -47.3 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.814 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.5 -40.2 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.784 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.06 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -15.38 60.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.96 -45.01 37.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.584 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 14.8 m-85 -82.11 -12.21 58.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.9 p 55.98 52.33 10.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 109.949 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.584 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.9 t -104.58 172.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.973 ' HB3' ' OD1' ' A' ' 89' ' ' ASN . . . -81.66 150.84 67.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.93 -30.43 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.35 2.53 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.973 ' OD1' ' HB3' ' A' ' 86' ' ' ALA . 17.7 m120 -101.98 -20.56 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.99 135.42 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.031 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -135.81 122.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 133' ' ' VAL . 10.0 p -104.62 137.05 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.002 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -116.35 147.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.836 ' O ' HD12 ' A' ' 135' ' ' ILE . 12.9 t-160 -155.78 164.01 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.642 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -95.92 143.48 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -161.86 155.05 20.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.647 HD23 HG23 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -87.62 115.72 25.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.733 ' O ' HD22 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -119.45 -65.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 98' ' ' ASP . 4.0 mm? -126.67 -103.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' A' ' 138' ' ' GLY . 19.6 mp0 -91.61 165.77 13.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' O ' ' CG ' ' A' ' 161' ' ' GLU . 4.0 m-85 -84.79 75.19 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.948 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.669 ' O ' ' CH2' ' A' ' 191' ' ' TRP . . . 159.59 41.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.705 HH21 HD23 ' A' ' 99' ' ' LEU . 4.4 tmm_? -134.76 157.23 47.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 0.776 . . . . 0.0 110.244 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.714 ' CG2' HD11 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -121.89 154.9 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 134' ' ' ARG . 5.9 ttt-85 -140.42 111.1 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.785 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.72 139.59 40.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.67 167.29 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -107.88 -55.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.521 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.7 64.05 0.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.79 -102.61 0.31 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 173.35 98.52 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -42.58 -30.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.215 -179.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.5 -114.64 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.57 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -116.37 93.78 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 19.1 m-70 -150.6 138.88 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.756 . . . . 0.0 109.621 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.4 m-80 -71.31 -58.77 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.32 -58.08 10.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.748 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.0 mt -54.44 -52.62 61.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 6.3 ttm180 -58.49 -33.11 69.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 116' ' ' ASN . 2.7 t -70.18 -29.82 66.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.871 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.35 -43.2 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 126' ' ' GLY . 12.3 t -68.28 -32.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.55 -43.38 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -67.08 -45.98 75.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.967 HD13 ' CE2' ' A' ' 130' ' ' PHE . 16.5 mt -81.31 -21.09 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.08 6.96 81.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.419 ' OG1' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 71.89 126.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.359 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -162.46 27.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 8.4 m-20 74.45 96.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 0.967 ' CE2' HD13 ' A' ' 125' ' ' LEU . 84.3 m-85 -122.71 -177.5 3.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.593 ' OE1' HG22 ' A' ' 91' ' ' ILE . 67.0 mt-30 -115.3 154.56 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 133' ' ' VAL . 4.6 ttp-105 -138.8 165.43 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 1.002 ' HB ' HG22 ' A' ' 93' ' ' ILE . 25.2 t -154.21 86.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -90.06 141.69 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 94' ' ' HIS . 1.7 mp -98.16 142.88 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.49 106.69 3.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.642 HG21 ' OD2' ' A' ' 95' ' ' ASP . 1.2 pp -113.11 92.73 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.498 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.27 -39.82 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 0.1 OUTLIER -70.74 -28.75 64.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.951 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.647 HG23 HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -75.49 -27.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' A' ' 17' ' ' TYR . 35.9 mt -98.42 47.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.0 mm-40 -76.52 -108.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 3.0 t-20 150.99 45.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.887 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.17 30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.963 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -13.76 -54.76 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 110.373 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.827 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.03 -78.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.887 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -42.29 -29.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 162' ' ' VAL . 2.9 mm-40 -81.48 -42.32 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -73.41 -32.59 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.698 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.2 -40.54 52.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.602 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 32.3 mm-40 -77.92 -35.22 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.4 t -50.37 -50.84 68.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.0 -32.22 5.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.5 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.9 m -56.06 -53.98 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.795 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.1 OUTLIER -76.75 -41.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.795 ' N ' HD13 ' A' ' 165' ' ' ILE . 46.6 t -49.81 -51.23 41.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.339 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.29 -52.01 60.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.09 -48.24 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.509 ' O ' ' HB ' ' A' ' 173' ' ' THR . . . -71.33 -32.2 68.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -54.71 -46.9 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 33.7 m-20 -71.55 -46.78 58.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 1.05 ' HB3' HG23 ' A' ' 188' ' ' VAL . . . -60.23 -48.98 79.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 170' ' ' ALA . 3.3 t -60.44 -39.94 89.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -56.24 -49.42 74.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.945 HD21 ' HG2' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -59.14 -46.72 87.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.837 HD22 ' HB1' ' A' ' 184' ' ' ALA . 0.7 OUTLIER -47.34 -55.94 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.545 HG22 ' CB ' ' A' ' 56' ' ' ALA . 58.5 mt -64.71 -25.16 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.642 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.4 OUTLIER -60.16 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.955 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.11 25.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . 0.719 ' O ' HD12 ' A' ' 176' ' ' LEU . . . -122.93 165.1 15.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.541 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 6.1 ptt? -151.46 -41.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 tp10 -60.66 -46.96 97.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.945 ' HG2' HD21 ' A' ' 175' ' ' LEU . 18.3 Cg_endo -75.06 -36.17 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.837 ' HB1' HD22 ' A' ' 176' ' ' LEU . . . -61.89 -45.29 94.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.64 -36.93 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.922 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 57.4 t30 -76.77 -23.1 52.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.3 tpt180 -103.03 -55.98 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 1.05 HG23 ' HB3' ' A' ' 172' ' ' ALA . 0.5 OUTLIER -73.97 -58.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -72.18 -2.02 17.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -142.54 99.89 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.669 ' CH2' ' O ' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.468 ' CB ' ' OG ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.96 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.93 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -131.02 164.47 25.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -118.92 140.72 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 ' CG1' ' A' ' 91' ' ' ILE . 21.2 t -124.57 141.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.51 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -130.48 124.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.06 111.1 4.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.803 ' CD1' HG13 ' A' ' 92' ' ' VAL . 2.1 mp -82.07 96.06 7.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.498 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -108.67 -162.85 20.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 34.5 t-20 -139.67 120.17 9.37 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.451 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.96 3.91 5.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -59.33 -156.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.61 -96.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -48.6 -36.26 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE1' HD22 ' A' ' 151' ' ' LEU . 8.2 t80 -88.34 -24.44 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 -26.11 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 21' ' ' ARG . 14.1 mmt180 -56.99 -15.42 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 151' ' ' LEU . 70.5 p -74.37 12.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.666 ' HD3' HG11 ' A' ' 162' ' ' VAL . 0.0 OUTLIER 80.71 5.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -56.14 -2.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.179 . . . . 0.0 109.622 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 21' ' ' ARG . 6.1 p30 -97.41 6.39 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.391 1.057 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 135' ' ' ILE . 1.4 tp -36.61 -61.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.594 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . -41.44 -44.37 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASN . 14.6 t80 -82.02 -35.38 28.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 1.7 t -67.38 -42.47 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.734 HG22 ' SG ' ' A' ' 166' ' ' CYS . 39.8 t -78.01 -36.63 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.906 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.88 -47.36 80.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.596 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 57.3 t0 -66.76 -43.14 84.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.514 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.03 -56.39 16.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 8.8 mt -57.11 -59.07 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -60.29 -13.47 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.24 -21.22 19.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -38.79 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -52.72 -21.18 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.93 -9.32 78.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 52' ' ' THR . . . -83.66 145.4 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.48 64.27 1.25 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 1.1 t80 -51.61 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -169.72 -168.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.765 ' HB2' ' CD ' ' A' ' 49' ' ' GLU . . . -134.42 152.47 51.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 10.1 t-160 82.97 -42.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.03 179.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt180 89.82 -71.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.651 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -172.93 32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.57 57.15 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.565 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -179.15 172.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.765 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 2.2 tt0 -86.37 151.33 23.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 62.1 t -155.27 155.1 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -168.07 110.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.575 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -63.23 164.58 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 110.336 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.655 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -150.26 120.92 1.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.572 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.12 116.56 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 36' ' ' LEU . 0.6 OUTLIER 171.37 178.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.509 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 60.92 13.15 4.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.62 33.88 37.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 55' ' ' SER . 6.4 tpm_? -179.04 152.85 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -81.94 173.19 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -161.33 126.34 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.27 103.21 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.906 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -90.04 113.33 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 50' ' ' VAL . . . -123.96 168.41 12.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.82 117.89 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.708 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.96 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.491 ' C ' ' N ' ' A' ' 68' ' ' TYR . 30.0 mmt180 -79.5 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.37 -20.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 108.298 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.7 m-85 61.25 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 1.0 OUTLIER -37.99 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.06 -34.13 77.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -58.28 -41.68 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.4 t -68.86 -51.01 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.617 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.12 -51.23 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.51 -47.02 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.606 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 5.7 tp60 -46.54 -49.97 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 26.4 mt -68.36 -44.85 83.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.63 -68.15 0.11 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.574 1.829 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.651 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.1 -40.19 63.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.815 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.73 -51.04 53.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -16.86 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.669 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -75.27 -44.59 45.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CE2' ' NH2' ' A' ' 45' ' ' ARG . 14.5 m-85 -85.99 -11.4 53.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.5 t 55.96 50.53 13.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.839 HG11 HD11 ' A' ' 90' ' ' ILE . 1.9 p -96.52 166.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.31 156.0 42.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.576 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.3 Cg_endo -75.02 -12.77 21.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.42 1.747 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.07 0.12 33.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.93 ' O ' HD12 ' A' ' 5' ' ' LEU . 16.2 m-20 -120.1 -14.73 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.839 HD11 HG11 ' A' ' 85' ' ' VAL . 51.1 mm -87.47 122.32 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.975 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -128.97 115.06 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -101.76 117.69 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.921 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.67 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -100.84 141.81 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -157.8 165.65 34.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.54 179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.724 ' CB ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -90.27 142.16 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -150.14 153.2 35.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.597 HD21 ' CG2' ' A' ' 150' ' ' VAL . 4.0 mp -85.89 114.41 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -109.69 -83.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.4 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -136.23 -75.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.8 mt-10 -92.9 171.08 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.11 49.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.973 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -176.39 43.36 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.652 ' O ' HG23 ' A' ' 135' ' ' ILE . 9.6 tpt180 -130.17 161.79 30.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.883 HD13 ' CB ' ' A' ' 169' ' ' ALA . 0.6 OUTLIER -122.6 160.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.627 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.6 OUTLIER -151.18 94.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.923 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.36 143.75 32.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.506 ' N ' HD22 ' A' ' 106' ' ' LEU . 1.9 ttmt -154.15 174.81 14.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.686 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -102.93 -88.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.642 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -131.09 42.1 1.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.01 -39.64 16.06 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.47 132.43 1.85 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -76.52 87.42 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -37.32 -91.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -58.13 -112.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 1.4 m170 158.5 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.607 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -55.16 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.563 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -74.21 -28.6 63.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 122' ' ' VAL . 9.4 mt -64.38 -58.87 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.5 ttt180 -65.8 -35.29 80.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 m -62.94 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.617 HG22 ' HA2' ' A' ' 73' ' ' GLY . 16.1 t -71.15 -41.03 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 118' ' ' LEU . 11.5 t -72.78 -26.01 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.0 60.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -82.49 -46.32 13.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 1.052 HD13 ' CE1' ' A' ' 130' ' ' PHE . 20.4 mt -79.43 -21.81 45.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 76.1 7.29 84.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.554 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 85.77 122.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.666 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 1.8 tppt? -143.73 10.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.686 ' O ' HD11 ' A' ' 108' ' ' ILE . 8.7 t0 80.98 20.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.917 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 130' ' ' PHE . . . . . 1.052 ' CE1' HD13 ' A' ' 125' ' ' LEU . 73.0 m-85 -51.18 158.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.561 ' HG3' HD13 ' A' ' 108' ' ' ILE . 69.5 mt-30 -95.08 157.32 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.38 150.74 42.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.645 1.216 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 106' ' ' LEU . 23.8 t -133.47 86.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.386 1.054 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.627 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 mtp-105 -88.81 144.77 26.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 135' ' ' ILE . . . . . 1.041 HD13 HD23 ' A' ' 24' ' ' LEU . 3.5 mp -97.57 152.03 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -105.85 100.47 1.68 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.155 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.574 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.3 pp -118.79 98.78 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 109.233 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -55.37 -39.88 70.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 149' ' ' PHE . . . . . 0.551 ' CE1' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -76.32 -32.02 58.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.597 ' CG2' HD21 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.87 -31.57 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 46.4 mt -87.27 20.72 2.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.66 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.3 OUTLIER -59.36 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 153' ' ' ASN . . . . . 0.66 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.0 t30 141.61 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 154' ' ' PHE . . . . . 0.749 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 1.2 m-85 -70.98 28.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 155' ' ' THR . . . . . 0.583 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.65 -50.7 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 156' ' ' PRO . . . . . 0.749 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.98 -73.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . 0.68 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.25 -43.25 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 1.146 ' O ' HG13 ' A' ' 162' ' ' VAL . 1.2 mt-10 -69.98 -37.95 75.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 159' ' ' ARG . . . . . 0.934 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 1.1 mmm-85 -52.48 -39.42 61.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.928 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -83.35 -27.71 29.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.99 ' O ' HG22 ' A' ' 165' ' ' ILE . 28.2 mt-10 -79.15 -37.76 37.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 1.146 HG13 ' O ' ' A' ' 158' ' ' GLU . 4.5 m -62.02 -35.32 20.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 1.061 ' HD3' HG22 ' A' ' 162' ' ' VAL . 18.0 Cg_endo -75.09 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.501 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 6.0 m -55.69 -46.76 77.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.99 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.44 -51.49 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.925 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 166' ' ' CYS . . . . . 0.807 ' N ' HD13 ' A' ' 165' ' ' ILE . 40.2 m -51.0 -53.84 29.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.259 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 9.6 pt-20 -58.02 -47.85 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 168' ' ' GLN . . . . . 0.592 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 6.1 mm-40 -63.66 -39.71 95.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 169' ' ' ALA . . . . . 0.883 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -72.39 -41.24 66.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.31 70.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 171' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 13.3 m-20 -69.11 -41.13 77.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 172' ' ' ALA . . . . . 0.608 ' HB2' HG23 ' A' ' 188' ' ' VAL . . . -63.53 -38.27 90.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.6 m -63.89 -51.51 64.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.66 -43.54 85.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 175' ' ' LEU . . . . . 0.544 ' CD2' ' HB2' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -66.34 -35.97 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 176' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 181' ' ' MET . 6.4 tp -55.76 -54.37 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 177' ' ' ILE . . . . . 0.509 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 70.0 mt -73.26 -20.05 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -64.29 -76.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -106.55 -72.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.32 9.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 181' ' ' MET . . . . . 0.687 ' HA ' HD12 ' A' ' 176' ' ' LEU . 14.0 ptt? -100.92 -17.18 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . 0.505 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -42.33 -51.74 10.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 183' ' ' PRO . . . . . 0.565 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.99 -44.21 90.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.9 tt0 -67.5 -37.83 83.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 186' ' ' ASN . . . . . 0.844 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.8 -24.27 36.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 187' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -97.83 -57.5 2.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 188' ' ' VAL . . . . . 0.779 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -67.37 -48.23 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -82.29 15.23 2.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 190' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -74.83 -44.45 49.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 191' ' ' TRP . . . . . 0.604 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 17.7 p90 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.491 0.186 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.48 129.9 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.45 136.32 0.7 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HA ' ' HG3' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -75.0 -176.27 2.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.479 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -135.08 141.7 46.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.373 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.538 HD13 HG21 ' A' ' 85' ' ' VAL . 0.2 OUTLIER -114.68 141.49 47.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.697 HG13 ' CG1' ' A' ' 91' ' ' ILE . 16.1 t -126.85 143.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.646 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.71 120.91 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.81 109.13 3.78 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.443 1.089 . . . . 0.0 111.039 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -95.42 117.03 29.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 0.732 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -140.54 -144.99 4.55 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' HIS . 40.1 t-20 -136.12 129.08 17.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 109.34 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -173.23 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.557 1.82 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.67 -110.48 1.09 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -176.69 -136.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m120 57.83 -80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.664 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -75.51 -17.38 60.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.68 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -71.11 -25.07 62.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.406 1.066 . . . . 0.0 109.308 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.784 ' HG3' HG23 ' A' ' 155' ' ' THR . 0.5 OUTLIER -57.72 -31.78 66.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 p -76.86 35.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.61 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.7 mmp_? 58.6 14.24 2.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' ASN . 2.4 t-160 -66.25 9.25 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.568 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.7 ' O ' HG23 ' A' ' 27' ' ' VAL . 4.1 t-20 -130.62 41.22 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' CG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -63.41 -49.88 72.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.71 -46.36 67.09 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -79.18 -25.78 42.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 0.727 . . . . 0.0 110.968 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.3 t -73.67 -42.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.59 -37.93 37.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.596 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -64.46 -45.06 89.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 26' ' ' PHE . 1.4 m-20 -64.17 -45.65 87.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -56.46 -60.65 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.1 mt -59.64 -24.56 63.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -75.76 -54.37 7.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.96 -28.56 57.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -53.77 7.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -39.75 93.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.75 -9.51 77.49 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.17 144.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.96 85.71 3.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.851 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 74.3 m-85 -61.6 -179.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -157.35 -165.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -152.05 118.88 5.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.403 1.064 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 9.6 t-160 -176.07 -127.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.085 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.412 ' H ' ' CG ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 69.93 149.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.227 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -45.6 -26.03 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.645 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -77.85 -49.69 13.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.569 1.168 . . . . 0.0 110.053 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.52 54.37 1.34 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -135.46 -179.62 5.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 2.6 tp10 -84.91 149.34 25.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.626 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.8 p -174.72 167.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.851 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -169.95 146.96 3.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.58 151.31 21.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -146.53 131.04 3.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -107.42 131.06 54.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.761 . . . . 0.0 110.297 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 170.46 -176.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.761 ' HA ' HG23 ' A' ' 177' ' ' ILE . . . 43.66 28.74 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 59.52 42.17 97.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' HG3' ' HA ' ' A' ' 4' ' ' PRO . 5.3 tpm_? -176.98 155.35 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.87 165.98 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.976 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 1.4 pp -145.09 126.0 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.506 HG11 HD11 ' A' ' 6' ' ' LEU . 14.3 t -108.9 98.57 7.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.626 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -96.49 113.23 24.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -121.75 169.72 10.46 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.62 116.84 0.15 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.89 -156.49 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.7 mmt180 -88.89 -87.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.336 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -42.43 -24.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 108.306 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 72' ' ' SER . 25.2 m-85 62.56 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.507 ' C ' ' O ' ' A' ' 68' ' ' TYR . 3.7 ttt -28.68 -90.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.11 -36.19 74.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 74' ' ' ARG . 2.2 mt-10 -59.11 -33.15 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.884 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.2 t -76.5 -53.24 8.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.897 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -44.68 -50.91 8.28 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.977 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.25 -49.24 19.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.567 ' N ' ' CG ' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -44.77 -49.71 10.52 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.924 ' CG2' HD11 ' A' ' 125' ' ' LEU . 4.9 mm -68.01 -46.02 82.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.32 -68.13 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.977 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.95 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.74 -39.44 68.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.796 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -50.44 57.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.06 -16.56 61.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.629 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -76.95 -43.15 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.701 ' HB3' HG23 ' A' ' 85' ' ' VAL . 9.0 m-85 -87.32 -17.11 33.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.3 p 55.13 53.05 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.701 HG23 ' HB3' ' A' ' 83' ' ' TYR . 61.7 t -94.17 168.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.551 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -90.34 164.34 27.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.5 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.2 Cg_endo -75.03 -33.96 4.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.452 1.764 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.5 0.86 15.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.479 ' HA ' HD23 ' A' ' 5' ' ' LEU . 81.4 m-20 -108.91 -28.74 8.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 47.3 mt -88.52 132.68 32.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.896 HG13 HD11 ' A' ' 93' ' ' ILE . 1.1 pt -134.64 118.01 24.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.911 ' C ' HD13 ' A' ' 93' ' ' ILE . 12.9 p -102.09 123.76 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.99 HD12 ' HB ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -98.53 141.86 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.907 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -157.34 178.55 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.487 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -108.91 145.41 35.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.589 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.1 t0 -155.81 153.98 30.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.929 HD22 HG21 ' A' ' 150' ' ' VAL . 1.0 OUTLIER -91.94 116.2 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 138' ' ' GLY . 29.3 t0 -118.62 -60.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 138' ' ' GLY . 6.6 mt -132.81 -105.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.78 176.66 6.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.4 ' O ' ' CD ' ' A' ' 161' ' ' GLU . 3.0 m-85 -91.64 70.31 5.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 170.0 40.68 0.03 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.696 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -132.85 164.82 26.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.819 ' CG2' HD11 ' A' ' 165' ' ' ILE . 1.8 pt -121.97 164.85 18.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.7 tpt180 -149.12 97.72 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.216 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.878 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.59 127.49 52.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -147.8 177.97 8.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.864 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -105.93 -83.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.158 . . . . 0.0 109.278 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.485 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -65.3 -53.74 31.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.41 1.069 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -47.15 129.14 12.95 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.14 -163.44 37.15 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 51.0 80.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 110.319 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.69 49.83 0.86 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.73 106.72 0.06 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.83 129.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 0.749 . . . . 0.0 109.589 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.471 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 59.1 m-80 -55.45 -42.78 74.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.01 -59.49 10.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.55 1.156 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 10' ' ' LEU . 11.5 mt -53.79 -46.37 71.01 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.538 0.787 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.535 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.65 -31.87 73.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.254 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 44.5 t -72.45 -27.74 62.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.999 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.897 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.82 -42.59 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -63.98 -43.54 97.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.404 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -73.04 -36.29 66.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.615 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.54 -47.15 61.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.924 HD11 ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -82.21 -20.94 36.76 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.568 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.16 3.89 88.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 68.38 121.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 0.742 . . . . 0.0 110.426 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 130' ' ' PHE . 3.3 tmtt? -141.13 13.99 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.864 ' O ' HD11 ' A' ' 108' ' ' ILE . 3.4 t70 83.82 19.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.713 ' CE1' HD22 ' A' ' 125' ' ' LEU . 80.6 m-85 -46.68 162.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 111.046 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.738 ' HG3' HD13 ' A' ' 108' ' ' ILE . 72.3 mt-30 -94.44 156.45 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.415 1.072 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.81 149.29 38.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.99 ' HB ' HD12 ' A' ' 93' ' ' ILE . 64.3 t -132.29 85.33 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.583 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -89.07 145.02 25.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.907 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.5 mp -96.15 149.91 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -94.17 94.53 1.81 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.425 1.078 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.81 HD11 HG22 ' A' ' 150' ' ' VAL . 1.4 pp -106.48 94.17 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.324 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.484 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . 64.19 177.67 5.21 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.2 157.92 75.77 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.444 0.732 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.762 ' CD ' HD12 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.98 118.13 5.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -25.65 11.8 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.798 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -179.38 -144.78 5.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.17 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -107.45 3.56 25.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.307 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -53.24 -59.02 5.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.915 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.5 OUTLIER -175.24 89.26 0.3 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -53.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.78 -40.88 89.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.915 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.83 -40.37 92.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' A' ' 152' ' ' GLU . 0.8 OUTLIER -76.16 -21.79 56.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.382 1.052 . . . . 0.0 110.957 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.929 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -82.22 -26.17 9.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.664 HD13 ' HE1' ' A' ' 17' ' ' TYR . 40.6 mt -103.3 50.92 0.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.313 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 28.2 mt-10 -77.39 -105.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.292 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.61 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.1 t30 157.07 51.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.809 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -69.29 29.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.784 HG23 ' HG3' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -20.14 -52.8 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.71 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.99 -70.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.5 1.789 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.809 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.87 -39.57 12.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' A' ' 162' ' ' VAL . 8.8 mm-40 -74.35 -32.77 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.016 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.37 -44.22 88.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.699 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.73 -34.03 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 1.001 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.8 mm-40 -74.74 -37.05 62.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.306 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.643 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -54.24 -52.11 71.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.016 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -25.96 11.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.586 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -64.02 -59.81 4.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.001 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.82 -53.4 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.742 ' N ' HD13 ' A' ' 165' ' ' ILE . 61.6 m -44.76 -46.41 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.584 1.178 . . . . 0.0 108.292 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.4 tt0 -62.06 -44.73 96.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.587 1.179 . . . . 0.0 110.282 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.574 ' O ' HG11 ' A' ' 188' ' ' VAL . 0.5 OUTLIER -66.24 -47.95 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.266 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . . . . . . . . . . . -67.66 -34.53 77.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -62.17 -40.96 97.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 2.0 m-20 -68.11 -44.49 76.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.984 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.74 -41.38 86.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.8 m -63.98 -52.21 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -57.12 -48.25 79.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.7 -38.51 90.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.289 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.668 ' O ' HD23 ' A' ' 176' ' ' LEU . 5.0 tt -55.5 -44.51 76.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.761 HG23 ' HA ' ' A' ' 56' ' ' ALA . 84.7 mt -74.73 -26.08 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -67.99 -41.25 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.87 -72.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.443 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.59 176.38 35.51 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.566 1.166 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -87.7 -19.96 26.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.447 0.733 . . . . 0.0 110.994 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.549 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -45.51 -48.58 36.14 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.1 -39.09 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.677 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -63.23 -37.15 86.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.582 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.5 tt0 -72.92 -40.56 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.789 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 25.3 t-20 -78.57 -21.21 49.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.2 ttt-85 -95.62 -52.84 3.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.984 HG21 ' HB2' ' A' ' 172' ' ' ALA . 16.8 t -88.26 -59.13 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.582 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.0 t-80 -66.64 22.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.653 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.789 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.38 -33.47 8.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.679 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 108.029 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 mtt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.53 0.205 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.92 131.74 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 176.42 86.25 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.444 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 164.75 32.68 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.508 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -130.8 139.24 50.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.571 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -109.33 144.63 37.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.952 ' HB ' HD22 ' A' ' 62' ' ' LEU . 24.3 t -131.53 144.55 37.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG11 ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -132.93 119.67 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.36 109.77 3.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.846 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -97.02 101.6 13.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 0.759 . . . . 0.0 109.329 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.86 -144.09 7.35 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.499 1.125 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.493 ' HB3' ' CB ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -132.49 122.42 17.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.465 0.744 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.453 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -74.99 -160.38 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.488 1.783 . . . . 0.0 110.962 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . -33.79 102.34 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.619 ' HB1' ' CD2' ' A' ' 17' ' ' TYR . . . -173.94 106.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 0.735 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -52.73 -22.84 5.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.857 ' O ' HG23 ' A' ' 20' ' ' THR . 0.1 OUTLIER -81.71 -19.63 41.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.073 . . . . 0.0 110.956 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.493 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -52.47 -24.68 8.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.247 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.531 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -58.57 -12.03 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.217 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 17' ' ' TYR . 70.0 p -75.59 26.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.401 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.596 ' C ' ' H ' ' A' ' 23' ' ' ASN . 4.2 mtp180 69.03 -0.97 2.24 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -65.92 7.91 0.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.582 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 62.0 t30 -124.49 29.52 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.766 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -51.36 -43.37 61.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -50.33 -60.95 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 1.4 t80 -78.07 -20.54 52.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 0.787 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' ASN . 9.6 t -74.28 -38.78 48.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.578 HG23 HD12 ' A' ' 24' ' ' LEU . 2.3 t -78.24 -51.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.4 -37.86 73.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 32.3 t0 -69.17 -49.38 57.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.534 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -51.39 -55.33 19.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 mt -54.61 -53.42 54.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.78 -25.9 66.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -71.33 -34.81 70.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -92.29 -45.17 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -170.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.612 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -93.51 36.18 3.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.636 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -22.7 121.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -161.53 67.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 1.0 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 1.2 p90 -139.76 -157.81 0.8 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -156.38 -164.87 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -123.15 124.5 43.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' HB2' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.06 143.26 44.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -97.19 -58.73 1.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 109.348 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.8 ttt180 -37.8 -38.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.363 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 1.008 ' CB ' HD11 ' A' ' 79' ' ' LEU . 99.3 p -94.95 -49.34 5.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.89 66.2 0.96 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -172.02 164.8 6.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.7 mm-40 -71.31 144.51 49.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.563 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 19.3 m -140.84 109.49 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.0 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.87 111.12 18.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.242 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.84 126.45 31.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.424 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.05 124.04 5.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mtm105 -140.89 95.27 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 110.281 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.9 -168.03 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 52.82 20.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 70.74 43.42 59.49 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HD2' ' CD1' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 176.39 154.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 110.317 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.549 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -80.49 -178.88 6.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 175.28 103.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.254 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 6' ' ' LEU . 25.2 t -99.01 110.59 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.952 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -97.79 106.34 18.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' C ' ' CD ' ' A' ' 64' ' ' LYS . . . -126.92 166.25 17.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.519 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 179.51 124.71 0.22 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -157.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.409 1.742 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 55.2 mmt-85 -79.14 -84.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.656 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -45.57 -20.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.289 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.684 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 62.26 -81.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.841 ' CA ' HD13 ' A' ' 10' ' ' LEU . 7.0 ttm -35.99 -93.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.073 . . . . 0.0 111.058 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.661 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 52.7 m-20 -62.2 -41.11 98.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.656 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.2 OUTLIER -50.93 -44.86 60.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.684 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -65.86 -49.47 68.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.885 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -43.21 -52.3 6.01 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.435 1.084 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.93 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.47 -53.52 7.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 110.302 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.534 ' HB2' ' HG3' ' A' ' 65' ' ' PRO . 10.3 mm-40 -44.09 -48.92 9.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.254 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.51 -45.9 84.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.56 -68.38 0.09 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.93 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.97 -47.01 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.434 1.755 . . . . 0.0 111.026 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.008 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.72 -41.37 66.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.032 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.48 -48.0 68.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -17.61 60.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.698 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -74.79 -43.2 55.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.69 ' HB3' HG23 ' A' ' 85' ' ' VAL . 4.5 m-85 -79.62 -5.16 54.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.7 t 53.31 46.86 25.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.94 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' HB3' ' A' ' 83' ' ' TYR . 74.2 t -103.55 159.46 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -87.29 164.27 36.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.599 1.187 . . . . 0.0 109.236 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.1 Cg_endo -75.11 -30.51 6.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.51 -4.93 12.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.535 ' O ' ' N ' ' A' ' 6' ' ' LEU . 71.7 m-20 -111.49 -25.05 9.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 50.9 mt -90.67 133.27 32.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.803 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -135.64 140.7 43.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.242 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 132' ' ' ARG . 5.4 p -124.95 132.73 70.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.751 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -112.2 147.98 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.982 ' O ' HD12 ' A' ' 135' ' ' ILE . 9.4 t-160 -156.68 173.18 17.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.588 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.522 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -109.3 145.61 35.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.5 t0 -156.67 152.41 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.53 103.76 11.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -100.68 -76.8 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 139' ' ' ARG . 3.6 mt -136.23 -80.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.3 mt-10 -92.0 166.91 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.586 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 5.1 t80 -96.21 99.43 11.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.46 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . 125.43 50.51 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.718 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.1 OUTLIER -136.79 127.76 27.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.797 . . . . 0.0 110.36 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.79 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pt -92.06 153.02 3.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 134' ' ' ARG . 14.3 ttt85 -144.04 111.61 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.179 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.69 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -106.49 143.15 35.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 132' ' ' ARG . 3.9 ttmt -160.42 172.59 16.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.1 OUTLIER -131.45 -90.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.93 -22.51 6.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -39.75 -72.9 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 112.08 -175.6 17.32 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -88.39 91.87 8.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 0.783 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -40.55 -48.8 3.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 177.33 75.47 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -134.7 132.08 38.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -42.13 99.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.807 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.63 -60.36 8.89 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.571 1.169 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.42 -41.81 61.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.221 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.504 ' O ' HG12 ' A' ' 122' ' ' VAL . 4.3 ttt-85 -62.73 -34.49 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 m -74.39 -30.31 61.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.885 HG22 ' HA2' ' A' ' 73' ' ' GLY . 9.4 t -72.34 -41.92 65.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -68.07 -40.64 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.75 -36.81 70.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.31 -45.72 75.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.032 HD21 ' HB3' ' A' ' 80' ' ' ALA . 16.7 mt -84.79 -22.5 29.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 69.48 4.18 43.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.795 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -95.91 -151.28 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.412 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER 168.05 42.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -136.04 10.18 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.502 ' HE2' HG23 ' A' ' 122' ' ' VAL . 5.7 p90 -81.13 162.25 23.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.615 1.197 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 91' ' ' ILE . 46.9 mt-30 -88.88 156.55 18.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.236 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -142.82 150.09 39.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.751 ' HB ' HG22 ' A' ' 93' ' ' ILE . 49.0 t -133.72 86.38 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -90.26 144.84 25.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 0.0 110.384 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.982 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.9 mp -105.48 146.33 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.718 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -97.23 98.07 2.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.588 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.7 pp -107.99 84.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 139' ' ' ARG . . . -113.4 -135.53 6.25 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER 87.25 69.85 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.777 . . . . 0.0 110.228 179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.59 38.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.466 1.771 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -21.99 15.38 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 140.48 -45.41 0.98 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 177.33 35.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 0.762 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -104.57 -73.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.832 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 7.9 p30 -158.33 102.34 1.7 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.99 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.576 1.83 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.92 -49.15 40.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.832 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -57.07 -35.53 69.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.231 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.417 ' HA ' ' HG3' ' A' ' 152' ' ' GLU . 1.4 t80 -77.08 -32.29 56.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -68.29 -27.71 37.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 27.0 mt -88.13 36.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.82 ' O ' HG22 ' A' ' 20' ' ' THR . 35.6 mt-10 -106.81 -119.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.629 ' HB2' ' O ' ' A' ' 152' ' ' GLU . 59.4 t30 166.22 96.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.812 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -71.98 34.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.409 1.068 . . . . 0.0 111.009 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.64 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -14.68 -55.42 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.442 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.729 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.0 -75.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.812 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -44.9 -34.42 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.76 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -78.59 -32.47 47.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 110.276 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.974 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.58 -47.63 81.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.364 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.717 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.72 -34.51 52.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 1.031 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.5 tp10 -76.09 -37.57 58.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.76 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.3 t -52.15 -50.81 76.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.163 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.974 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.02 -28.13 9.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.549 1.815 . . . . 0.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.57 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 13.6 m -64.64 -59.36 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.485 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.031 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.02 -54.66 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.756 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.7 m -45.46 -47.7 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 108.332 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.481 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -59.19 -45.32 91.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.484 ' O ' ' CG1' ' A' ' 188' ' ' VAL . 0.4 OUTLIER -65.8 -46.3 79.15 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.766 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -67.8 -38.38 83.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.82 -44.86 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 5.3 m-20 -67.22 -43.58 81.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.024 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.89 -39.45 81.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.1 m -63.78 -53.66 47.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.67 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.54 -35.79 76.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.247 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.67 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.72 -42.24 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.83 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.2 tt -54.72 -39.92 68.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.412 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 8.2 mt -75.98 -34.16 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.499 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.3 OUTLIER -54.56 -63.51 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -128.97 -71.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -152.1 -179.51 27.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.571 1.169 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.576 ' HB2' HD21 ' A' ' 106' ' ' LEU . 2.5 ptp -92.41 -16.51 25.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.751 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.626 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.7 mp0 -51.32 -44.37 88.22 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.05 -38.33 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.86 -33.79 75.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.56 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.03 -41.47 64.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.581 ' O ' ' CB ' ' A' ' 190' ' ' ALA . 19.5 t30 -78.25 -20.32 51.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.87 -52.24 3.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.024 HG21 ' HB2' ' A' ' 172' ' ' ALA . 19.1 t -88.6 -58.58 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.38 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.56 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.7 t-80 -67.54 24.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.679 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -120.54 57.71 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 1.1 m95 . . . . . 0 C--N 1.324 -0.541 0 O-C-N 124.479 1.112 . . . . 0.0 108.02 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpp? . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.54 0.209 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' O ' ' CD ' ' A' ' 3' ' ' GLU . . . -165.45 107.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 2' ' ' ALA . 0.6 OUTLIER 174.16 152.86 0.27 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.211 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.01 161.77 38.2 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.54 1.81 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.498 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -127.06 138.37 53.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.093 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.626 HD23 ' N ' ' A' ' 7' ' ' VAL . 3.6 tt -105.65 148.27 27.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.857 HG13 ' CG1' ' A' ' 91' ' ' ILE . 14.1 t -131.99 142.93 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.838 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.19 122.15 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.73 108.97 3.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.582 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -84.32 101.91 12.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.27 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.15 -160.41 11.8 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.462 1.101 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 26.2 t-20 -138.3 120.57 10.72 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.0 120.23 5.98 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.451 1.764 . . . . 0.0 110.964 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 43.07 -155.82 0.14 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 81.96 147.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 0.783 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -66.25 -10.08 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.938 ' O ' HG22 ' A' ' 20' ' ' THR . 0.6 OUTLIER -84.72 -22.82 29.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -61.33 -34.63 75.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' C ' ' H ' ' A' ' 21' ' ' ARG . 1.3 tpt180 -63.4 -22.22 66.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.938 HG22 ' O ' ' A' ' 17' ' ' TYR . 1.6 t -78.41 20.35 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.298 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.66 ' HE ' HG21 ' A' ' 162' ' ' VAL . 0.1 OUTLIER 70.64 14.38 7.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 110.271 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.592 ' HB2' HG22 ' A' ' 20' ' ' THR . 0.5 OUTLIER -65.07 7.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.602 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 21' ' ' ARG . 9.1 t-20 -117.82 18.8 13.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.935 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -44.71 -42.55 7.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.21 -58.7 10.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.131 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.6 t80 -78.21 -21.55 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.8 t -73.82 -38.79 51.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.679 HG23 HD12 ' A' ' 24' ' ' LEU . 2.5 t -76.64 -53.04 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.018 ' HB1' ' CD1' ' A' ' 62' ' ' LEU . . . -56.94 -37.11 71.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 34' ' ' ALA . 8.3 t70 -68.7 -47.1 67.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.552 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -48.88 -56.69 8.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.8 mt -56.48 -52.38 64.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.759 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -60.48 -21.74 62.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -77.41 -36.16 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -42.79 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -84.5 15.31 3.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.514 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 67.97 -57.18 0.39 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.759 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 72.37 144.88 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.737 . . . . 0.0 109.274 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 81.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 1.022 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -141.57 -153.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' OE2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -162.14 -162.09 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.15 152.55 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -97.54 112.89 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.58 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -69.02 -59.56 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -38.15 -32.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.734 ' HB2' HD11 ' A' ' 79' ' ' LEU . 1.1 p -94.84 -47.54 6.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.05 52.61 1.6 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -168.05 168.23 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.747 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 24.6 tp10 -82.99 151.39 25.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 4.2 m -143.56 115.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.022 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -117.77 111.46 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.22 126.77 31.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.82 129.07 5.86 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -140.11 98.75 3.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.806 . . . . 0.0 110.308 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -167.61 -161.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 44.4 25.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 64.71 47.93 78.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 111.025 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.22 155.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.604 0.826 . . . . 0.0 110.332 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.08 174.86 11.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.434 1.084 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -177.29 105.23 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.259 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 7' ' ' VAL . 2.7 t -98.87 109.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.018 ' CD1' ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -98.38 108.35 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -126.66 171.7 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.688 ' HE2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.19 127.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.667 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.499 ' C ' ' N ' ' A' ' 68' ' ' TYR . 32.6 mmt180 -84.39 -85.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.578 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -45.83 -21.38 0.12 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.579 1.174 . . . . 0.0 108.28 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.745 ' O ' ' N ' ' A' ' 72' ' ' SER . 14.9 m-85 62.27 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.506 ' HG2' ' CA ' ' A' ' 117' ' ' GLY . 57.2 ttm -35.11 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.486 ' N ' ' HG2' ' A' ' 69' ' ' MET . 27.6 t-20 -63.99 -34.1 77.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.379 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 1.6 mm-40 -56.8 -45.05 82.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.745 ' N ' ' O ' ' A' ' 68' ' ' TYR . 31.7 t -67.02 -55.12 15.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.917 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.05 -54.77 3.02 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.962 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.73 -47.74 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.303 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.74 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.3 mm-40 -48.69 -47.72 40.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.501 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.777 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.34 -47.2 81.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.48 -67.06 0.1 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.453 1.096 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.962 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.47 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.41 -40.0 67.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.777 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.18 -50.36 61.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -15.76 60.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.689 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -77.43 -40.23 44.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.762 ' HB3' HG23 ' A' ' 85' ' ' VAL . 4.1 m-85 -79.34 -8.19 58.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 21.2 p 52.22 46.38 26.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.762 HG23 ' HB3' ' A' ' 83' ' ' TYR . 89.4 t -103.75 170.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.596 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -79.9 154.04 75.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' O ' ' OE1' ' A' ' 131' ' ' GLN . . . -77.46 0.86 21.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.578 1.174 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 6' ' ' LEU . 60.9 m-20 -99.69 -18.62 17.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.399 1.062 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 13.5 mt -89.22 137.27 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.857 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -137.32 118.76 18.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.838 HG22 ' CG2' ' A' ' 8' ' ' VAL . 27.5 t -103.1 131.09 52.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.049 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -108.58 143.09 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 1.034 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -158.28 177.78 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 109.611 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.38 143.89 32.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.705 ' O ' HD13 ' A' ' 137' ' ' ILE . 6.1 t0 -149.01 151.19 34.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' A' ' 146' ' ' PRO . 1.0 OUTLIER -86.67 114.59 23.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -110.85 -84.73 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.333 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 -68.42 0.47 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.218 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.53 163.97 15.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -93.78 25.28 3.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 111.073 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -155.66 51.29 0.45 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.465 1.103 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.4 tmm_? -134.72 158.19 44.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 0.75 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.792 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.4 pp -122.45 156.98 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.0 ttm180 -142.15 103.09 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.314 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.823 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -109.17 132.05 54.49 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.12 . . . . 0.0 109.228 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -147.49 179.08 7.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -109.58 -54.27 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.25 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.19 20.3 21.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -35.54 -58.57 0.88 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.11 137.83 4.15 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -44.92 -76.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.47 0.747 . . . . 0.0 110.315 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' N ' ' OE1' ' A' ' 112' ' ' GLU . . . 77.41 97.66 0.2 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 39.44 -148.21 0.15 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.419 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 14.0 m170 64.6 110.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.638 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -59.64 -36.79 77.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.506 ' CA ' ' HG2' ' A' ' 69' ' ' MET . . . -61.86 -61.0 7.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 121' ' ' VAL . 11.8 mt -50.39 -42.17 53.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.515 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.2 ttm105 -66.12 -33.24 75.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.2 OUTLIER -74.57 -27.29 60.43 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.917 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.96 -43.17 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.539 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.64 -44.64 89.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.428 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.81 -37.84 76.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.72 -46.67 71.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 130' ' ' PHE . 16.0 mt -79.91 -20.79 44.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.06 5.33 84.87 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.87 131.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.727 . . . . 0.0 110.418 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -169.76 32.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 7.0 m-20 60.25 96.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.183 . . . . 0.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.794 ' CE2' HD13 ' A' ' 125' ' ' LEU . 59.7 m-85 -123.61 162.42 23.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.549 ' HB2' HG22 ' A' ' 91' ' ' ILE . 20.2 mt-30 -92.45 152.98 19.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 110.234 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -142.08 148.97 39.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 1.049 ' HB ' HG22 ' A' ' 93' ' ' ILE . 3.2 t -134.25 81.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.52 145.99 24.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.353 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.034 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.1 mp -94.66 149.97 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.2 85.8 0.51 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.518 1.137 . . . . 0.0 110.957 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.714 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -108.07 94.63 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.572 0.807 . . . . 0.0 109.277 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 139' ' ' ARG . . . -104.58 -105.09 2.98 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.475 1.109 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER 80.54 69.04 0.14 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.5 0.765 . . . . 0.0 110.297 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 120.54 6.09 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.387 1.73 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -10.46 21.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.542 1.811 . . . . 0.0 111.056 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 143' ' ' ARG . . . 132.02 79.87 0.18 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 142' ' ' GLY . 0.0 OUTLIER 37.53 52.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 0.77 . . . . 0.0 110.31 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -107.88 -79.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.654 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 33.0 m-20 -164.84 105.28 0.81 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.687 ' HB2' HD13 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.07 -41.05 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.87 -44.44 66.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.654 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -60.06 -38.55 83.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 1.0 OUTLIER -75.43 -30.43 60.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.502 ' CG2' HG12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -65.72 -39.95 86.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.77 HD22 ' CE1' ' A' ' 17' ' ' TYR . 44.5 mt -90.09 39.08 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 1.062 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.498 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 2.1 tt0 -93.07 -115.93 0.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.602 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -175.32 54.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 109.203 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.775 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.1 OUTLIER -69.27 26.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.104 . . . . 0.0 110.963 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.602 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -24.4 -51.59 0.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.164 . . . . 0.0 110.418 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.678 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.95 -69.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.775 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.07 -44.12 20.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.653 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.38 -29.69 62.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -57.21 -44.91 84.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.346 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.66 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.68 -33.56 41.03 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.607 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 4.8 mm-40 -74.58 -35.59 63.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.66 HG21 ' HE ' ' A' ' 21' ' ' ARG . 1.3 t -57.13 -53.67 62.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.88 -22.23 15.3 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.585 1.834 . . . . 0.0 111.066 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.607 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.2 m -62.65 -59.35 5.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.384 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.716 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -74.79 -44.19 45.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.337 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.716 ' N ' HD13 ' A' ' 165' ' ' ILE . 32.2 m -48.95 -50.44 35.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.9 tt0 -63.75 -48.58 76.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -43.14 99.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.792 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -73.01 -33.25 65.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -49.81 73.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -69.74 -40.99 75.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.064 ' HB1' HG12 ' A' ' 188' ' ' VAL . . . -64.43 -35.85 82.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 169' ' ' ALA . 22.8 m -65.64 -51.13 61.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.0 OUTLIER -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.408 ' O ' ' HB3' ' A' ' 178' ' ' GLU . 0.9 OUTLIER -66.21 -41.06 90.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.708 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.9 tt -54.0 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 56' ' ' ALA . 17.9 mt -79.49 -18.01 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -62.6 -58.86 6.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -72.26 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.95 -168.68 20.62 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.74 -17.69 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.559 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -49.77 -47.62 79.07 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.03 -37.29 2.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.869 ' O ' HG13 ' A' ' 188' ' ' VAL . . . -67.07 -44.77 79.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -64.4 -37.9 89.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 1.008 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 51.4 t30 -83.79 -20.29 33.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.573 1.171 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.84 -57.28 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.253 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.064 HG12 ' HB1' ' A' ' 172' ' ' ALA . 0.8 OUTLIER -71.06 -50.6 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.61 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.09 15.45 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 1.008 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -94.38 -65.45 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.518 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mtp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.53 0.205 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.25 92.77 0.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -160.54 135.22 5.44 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 161.51 38.45 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.575 1.829 . . . . 0.0 111.047 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.545 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -132.26 135.93 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -120.23 138.32 53.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.855 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -126.89 143.26 40.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.781 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -137.35 119.21 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.65 108.92 3.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.429 1.081 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.718 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.13 109.94 21.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 0.785 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' N ' HD12 ' A' ' 10' ' ' LEU . . . -128.88 -139.48 4.71 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 22' ' ' HIS . 18.6 t-20 -135.31 125.85 17.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 125.97 9.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 41.65 -149.37 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.534 1.146 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.83 131.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 0.79 . . . . 0.0 109.362 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -65.2 -9.77 26.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.657 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.9 OUTLIER -68.61 -16.92 64.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.949 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.49 -25.38 64.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.472 ' C ' ' H ' ' A' ' 21' ' ' ARG . 21.4 mmt180 -50.26 -26.94 5.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.337 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 19.6 p -76.34 16.84 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.772 ' HG3' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER 76.17 12.4 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -64.06 6.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.591 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.617 ' H ' ' C ' ' A' ' 21' ' ' ARG . 3.0 t-20 -118.74 17.75 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.396 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.772 HD22 ' HG3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -40.77 -55.22 2.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.628 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -40.74 -60.2 2.19 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.417 1.073 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 3.5 t80 -75.02 -29.78 60.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 0.775 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -61.59 -42.95 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.255 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.581 HG22 ' SG ' ' A' ' 166' ' ' CYS . 2.4 t -77.46 -38.27 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.378 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.791 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.99 -45.24 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.561 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.2 m-20 -66.32 -44.46 83.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -49.52 -58.08 5.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.87 -50.05 73.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.657 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.71 -26.52 67.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.561 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -70.85 -39.69 72.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -44.26 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 HD12 ' H ' ' A' ' 37' ' ' GLY . 0.2 OUTLIER -68.66 -168.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.402 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.653 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -95.14 33.81 5.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.044 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.657 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -17.22 120.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -163.82 74.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 1.042 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -140.76 -155.93 0.63 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.971 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -155.94 -164.52 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -125.05 125.1 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.689 ' CD2' HG21 ' A' ' 50' ' ' VAL . 1.4 m170 -57.1 109.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.49 -55.96 10.0 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.396 1.06 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -48.18 -51.09 26.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.858 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -69.6 -48.77 58.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 110.059 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.44 55.23 1.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.568 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -169.95 165.47 9.54 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 0.786 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 7.0 tp10 -76.55 149.9 36.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.689 HG21 ' CD2' ' A' ' 43' ' ' HIS . 4.7 m -147.19 112.84 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.042 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.27 107.98 14.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.708 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.2 125.9 44.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 110.333 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.53 -160.95 8.52 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -141.0 109.5 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 0.788 . . . . 0.0 110.301 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.504 ' N ' HD23 ' A' ' 60' ' ' LEU . 4.8 m -149.32 177.41 9.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 1.072 ' CB ' HG21 ' A' ' 177' ' ' ILE . . . 53.79 18.48 1.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.28 41.21 46.95 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' HB3' HD12 ' A' ' 5' ' ' LEU . 1.2 tpm_? 175.27 158.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 p -55.41 151.08 10.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.938 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 55' ' ' SER . 1.6 pp -140.74 122.39 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.708 HG22 HG22 ' A' ' 52' ' ' THR . 24.4 t -100.52 99.01 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.791 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.4 tm? -96.87 105.79 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.097 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -120.26 177.27 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HE2' ' CB ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 175.06 117.62 0.11 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.4 1.063 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.706 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.03 -157.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.805 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 61.1 mmt-85 -79.68 -84.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.244 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.589 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.58 -18.34 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.155 . . . . 0.0 108.318 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 23.3 m-85 61.43 -82.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 111.028 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.63 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -40.47 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.018 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.668 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.5 m-20 -68.04 -47.21 69.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.61 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 3.0 tp10 -48.46 -43.24 34.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.652 ' CB ' ' O ' ' A' ' 68' ' ' TYR . 47.3 t -64.79 -55.19 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.921 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.861 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -38.83 -52.14 2.54 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.509 1.13 . . . . 0.0 111.058 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.963 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.88 -54.01 6.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 110.268 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.61 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.3 mm100 -44.48 -48.35 10.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.457 1.098 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.851 ' CG2' HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -68.48 -46.8 79.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.77 -66.8 0.09 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.469 1.106 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.963 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.06 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.858 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.99 -41.32 67.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.916 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.43 -50.0 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.97 -16.85 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.097 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.69 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -76.22 -38.61 56.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -79.19 -2.08 39.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 51.33 45.93 27.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.02 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.762 HG22 HD21 ' A' ' 89' ' ' ASN . 0.5 OUTLIER -127.17 163.3 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.452 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -88.86 155.84 49.95 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.537 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.7 Cg_endo -74.98 -6.07 17.6 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.7 -15.93 62.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.382 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.762 HD21 HG22 ' A' ' 85' ' ' VAL . 8.7 p30 -105.17 -16.33 14.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.564 HG12 HD22 ' A' ' 6' ' ' LEU . 12.6 mt -85.98 132.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.855 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.69 120.67 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.781 HG22 ' CG2' ' A' ' 8' ' ' VAL . 58.3 t -103.03 131.68 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.912 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -111.97 145.77 17.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.902 ' O ' HD12 ' A' ' 135' ' ' ILE . 7.5 t-160 -151.53 177.13 10.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.458 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -99.94 140.12 34.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.247 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.562 ' N ' ' O ' ' A' ' 135' ' ' ILE . 6.3 t0 -149.98 169.69 20.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.671 HD12 ' CD ' ' A' ' 140' ' ' PRO . 0.6 OUTLIER -107.37 100.99 10.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' CG ' HD12 ' A' ' 99' ' ' LEU . 31.6 t0 -92.98 -72.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.594 HD12 ' CG ' ' A' ' 98' ' ' ASP . 3.6 mp -131.59 -90.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.066 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 138' ' ' GLY . 30.5 mp0 -88.78 173.47 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.596 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -87.2 55.61 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.407 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 176.92 48.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.713 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.4 OUTLIER -134.53 160.79 36.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 110.249 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.845 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.5 pp -122.63 162.93 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.19 105.36 3.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.58 1.175 . . . . 0.0 110.303 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.824 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.77 131.27 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 132' ' ' ARG . 4.8 tppt? -154.12 164.92 37.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.721 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.3 tp -95.11 -86.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.721 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -64.27 -39.71 97.27 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 40.3 -153.15 0.07 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -135.86 38.08 1.82 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.429 ' OE1' ' NH2' ' A' ' 119' ' ' ARG . 1.2 mt-10 58.02 90.58 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.448 0.734 . . . . 0.0 110.255 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 114' ' ' GLY . . . -65.68 -61.04 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.533 1.145 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.439 ' C ' ' ND1' ' A' ' 115' ' ' HIS . . . -52.74 -105.7 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.441 ' NE2' ' CE ' ' A' ' 69' ' ' MET . 2.1 p-80 178.29 -106.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.608 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 120' ' ' SER . 0.4 OUTLIER -65.61 -38.35 89.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.14 -64.11 4.67 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.54 1.15 . . . . 0.0 110.98 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.752 ' O ' HG12 ' A' ' 121' ' ' VAL . 1.9 mt -52.81 -50.39 63.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 0.709 . . . . 0.0 109.298 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.429 ' NH2' ' OE1' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -59.18 -33.22 70.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 116' ' ' ASN . 33.1 t -70.09 -29.67 66.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.025 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.861 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.76 -41.89 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 118' ' ' LEU . 16.5 t -68.28 -32.87 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.188 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.89 -44.06 56.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.648 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -67.2 -44.88 78.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.477 1.11 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.916 HD21 ' CB ' ' A' ' 80' ' ' ALA . 2.7 mt -79.83 -21.02 44.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 77.37 3.31 82.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 111.026 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.417 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 76.17 129.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.423 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.53 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 2.0 tppt? -171.61 33.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.1 m-20 81.25 101.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -131.51 152.75 50.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.415 ' HB2' HG22 ' A' ' 91' ' ' ILE . 61.2 mt-30 -100.95 156.14 17.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.058 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -143.23 150.06 38.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.912 ' HB ' HG22 ' A' ' 93' ' ' ILE . 19.7 t -138.3 87.59 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.8 mtp180 -91.52 144.18 25.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.902 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.6 mp -99.3 150.26 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 98' ' ' ASP . . . -107.88 95.98 1.01 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.145 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -107.78 71.27 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 0.779 . . . . 0.0 109.357 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . 105.2 -179.54 23.88 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.411 ' HB3' ' HA ' ' A' ' 99' ' ' LEU . 2.7 ptp180 -133.04 157.98 76.97 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.354 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.671 ' CD ' HD12 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.02 120.15 5.94 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -33.96 4.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.404 1.739 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 133.61 -118.3 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.533 1.146 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -91.65 34.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.9 OUTLIER -100.69 -64.46 1.04 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.902 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.7 m-20 158.34 86.65 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -61.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.448 1.762 . . . . 0.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.84 -37.27 71.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.902 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.76 -39.54 89.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -25.4 57.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.414 HG12 ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -77.59 -27.91 15.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.657 HD13 ' HE1' ' A' ' 17' ' ' TYR . 52.7 mt -100.18 45.94 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 14.2 mt-10 -78.54 -100.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.587 1.179 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.596 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 12.5 t30 154.05 47.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.821 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -71.43 28.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.42 -52.88 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.685 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -75.0 -69.08 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.821 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.26 -39.96 23.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.664 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.1 mt-10 -74.96 -31.35 61.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 110.237 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -58.69 -44.79 90.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.404 1.065 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.705 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.47 -34.78 54.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.2 mm-40 -75.19 -37.02 61.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.714 HG21 ' NE ' ' A' ' 21' ' ' ARG . 1.8 t -53.32 -51.8 72.19 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.1 Cg_endo -75.07 -27.42 9.92 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.537 1.809 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.575 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.6 m -60.15 -58.11 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.9 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -71.98 -46.31 60.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.9 ' N ' HD13 ' A' ' 165' ' ' ILE . 34.9 m -51.3 -48.99 62.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -61.01 -45.55 94.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.582 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 3.6 mt-30 -67.51 -41.59 84.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.594 1.184 . . . . 0.0 110.253 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.73 -31.06 64.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -63.2 -49.19 75.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.425 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 4.5 m-20 -70.69 -41.89 71.4 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.949 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -65.24 -37.98 88.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.48 ' CB ' ' O ' ' A' ' 169' ' ' ALA . 3.1 m -63.74 -49.76 71.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.529 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.7 pt-20 -56.41 -48.41 77.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.529 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 1.7 tp -65.9 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.564 ' O ' HD23 ' A' ' 176' ' ' LEU . 0.2 OUTLIER -53.58 -52.02 61.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 1.072 HG21 ' CB ' ' A' ' 56' ' ' ALA . 2.4 mt -77.99 -20.51 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.427 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 6.8 tm-20 -66.63 -32.75 74.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -116.54 -71.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 176' ' ' LEU . . . -177.38 -52.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.148 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.467 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 163.5 -23.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 111.013 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -50.28 -47.0 83.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 17.9 Cg_endo -75.1 -37.29 2.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.557 1.819 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.803 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.6 -43.56 80.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 5.2 tt0 -67.49 -36.98 82.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 1.028 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 61.4 t30 -81.85 -23.3 36.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.569 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 0.2 OUTLIER -100.99 -57.75 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.949 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.46 -47.17 87.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.593 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.33 12.49 4.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.537 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 1.028 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -86.91 -69.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.582 ' CH2' ' HB3' ' A' ' 168' ' ' GLN . 1.6 p90 . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.488 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 7.2 mtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.46 0.171 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 176.17 90.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.222 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -167.75 119.04 0.7 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.444 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -74.99 179.47 6.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.763 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -127.45 167.81 15.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.583 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -126.59 138.34 53.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.905 HG13 ' CG1' ' A' ' 91' ' ' ILE . 6.8 t -127.86 142.51 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.222 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.923 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.02 120.9 45.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.093 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.498 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -93.57 109.98 3.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.565 1.166 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.673 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.57 107.25 19.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -130.77 -146.57 5.91 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 110.989 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.557 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 21.3 t-20 -136.17 128.47 17.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.345 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.97 -170.51 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.492 1.785 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.643 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -34.6 120.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.055 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 166.98 143.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -68.14 -7.84 33.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.013 ' CD2' HD11 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -82.79 -18.48 40.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.992 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.3 72.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.549 1.155 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.511 ' C ' ' H ' ' A' ' 21' ' ' ARG . 22.1 mmt180 -55.89 -30.38 61.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.097 HG21 HD13 ' A' ' 151' ' ' LEU . 17.0 p -76.16 28.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.563 ' C ' ' H ' ' A' ' 23' ' ' ASN . 32.3 mmt-85 64.54 12.56 7.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.557 ' CG ' ' HB2' ' A' ' 12' ' ' ASN . 18.9 t-160 -68.52 11.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.662 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.665 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 t-20 -132.92 38.68 3.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.958 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -61.01 -45.32 95.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.99 -52.47 35.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.3 t80 -78.09 -26.15 47.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 110.999 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 23' ' ' ASN . 5.8 t -72.85 -39.47 59.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.175 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.663 ' CG2' HD12 ' A' ' 24' ' ' LEU . 40.9 t -76.9 -37.55 27.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -64.58 -47.4 78.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 m-20 -65.8 -41.81 91.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.54 -57.55 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 10.6 mt -57.86 -36.35 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -78.75 -14.62 59.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.585 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -88.95 -25.06 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.76 -42.28 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.39 18.98 2.46 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.536 1.148 . . . . 0.0 109.251 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 38.66 30.04 0.09 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -50.1 172.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 0.791 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.81 52.86 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.659 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.91 -164.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -151.97 -166.17 2.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.28 123.89 1.98 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 109.358 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.59 161.11 17.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.073 . . . . 0.0 109.541 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -70.12 -164.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.24 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 45' ' ' ARG . 4.5 ttp-105 36.86 -146.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.679 ' CB ' HD21 ' A' ' 79' ' ' LEU . 33.5 p -71.98 52.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -118.72 -55.08 0.27 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.574 1.172 . . . . 0.0 111.057 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.664 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.3 -170.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -72.72 142.92 48.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.607 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 27.8 m -147.29 117.1 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.659 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -119.12 113.66 21.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 125.52 29.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.393 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -120.29 99.62 0.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.118 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -111.91 130.84 55.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER 157.56 -171.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.038 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 44.09 31.77 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 59.27 47.4 91.02 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER 175.5 152.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 0.762 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 2.2 t -108.87 169.51 8.63 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.582 1.177 . . . . 0.0 109.957 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.4 117.03 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.0 t -89.01 99.86 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.995 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -95.39 107.13 19.25 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.562 1.163 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 49' ' ' GLU . . . -126.86 170.85 11.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.583 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.45 130.06 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.704 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.99 -154.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 6.0 mmt180 -86.63 -86.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -43.7 -23.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 108.269 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.858 ' O ' ' N ' ' A' ' 72' ' ' SER . 18.8 m-85 63.15 -80.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.63 ' HA ' HD13 ' A' ' 10' ' ' LEU . 54.4 ttm -27.27 -92.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 69' ' ' MET . 4.6 m-20 -71.67 -33.25 68.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.9 mt-10 -60.36 -33.1 71.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.858 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -79.82 -47.55 15.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.569 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -53.16 -47.08 61.75 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.036 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.01 -46.98 21.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.5 tp-100 -45.7 -50.74 13.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.277 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.842 HG22 ' HB2' ' A' ' 80' ' ' ALA . 4.9 mt -68.85 -46.38 79.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.32 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.08 -45.56 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.679 HD21 ' CB ' ' A' ' 46' ' ' SER . 8.8 mt -54.95 -40.42 69.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 76' ' ' ILE . . . -67.71 -47.66 68.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -16.32 59.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.681 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.2 t80 -76.18 -44.41 38.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 111.042 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.463 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 19.7 m-85 -86.37 -12.84 48.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.1 t 56.91 53.16 8.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.959 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.701 HG12 ' OD1' ' A' ' 89' ' ' ASN . 1.2 t -100.08 157.13 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.601 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -84.2 153.63 62.9 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.607 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.9 -6.3 17.93 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.58 -15.2 59.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.722 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -109.84 -14.1 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.403 ' O ' ' HB2' ' A' ' 131' ' ' GLN . 3.2 mm -85.08 123.07 38.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.905 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -136.67 117.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.923 HG22 ' CG2' ' A' ' 8' ' ' VAL . 33.4 t -106.08 126.3 61.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.151 . . . . 0.0 109.381 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.611 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 1.2 tt -105.88 144.59 15.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.993 ' O ' HD12 ' A' ' 135' ' ' ILE . 10.5 t-160 -156.49 179.05 9.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.568 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.548 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -103.34 145.28 30.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -159.19 154.27 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.916 HD11 ' CG2' ' A' ' 150' ' ' VAL . 1.9 mp -85.54 103.82 14.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 139' ' ' ARG . 59.1 t0 -102.57 -72.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.37 -85.49 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.6 mt-10 -86.16 167.94 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 110.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.603 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -89.17 31.7 0.87 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -163.33 53.21 0.3 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 136' ' ' GLY . 3.7 mmm-85 -138.21 160.57 39.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.663 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pp -118.51 161.61 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.555 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.11 111.55 4.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.837 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -111.26 131.93 54.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -147.77 170.45 17.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.79 HD13 ' HG3' ' A' ' 131' ' ' GLN . 0.3 OUTLIER -132.21 -86.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.608 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -47.73 -31.05 7.16 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.61 1.194 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.93 -46.97 1.26 Allowed Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.63 -172.78 54.61 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -75.45 100.66 4.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.62 -61.21 4.86 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -171.0 84.38 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.525 ' CE1' ' O ' ' A' ' 95' ' ' ASP . 2.6 m170 -151.91 133.62 14.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 0.802 . . . . 0.0 109.622 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -60.53 -42.96 97.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.073 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.49 ' HA3' HD22 ' A' ' 10' ' ' LEU . . . -64.43 -59.03 8.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.633 ' O ' HG23 ' A' ' 122' ' ' VAL . 10.9 mt -52.32 -45.31 65.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 0.794 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -60.7 -37.01 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.14 -31.8 69.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.657 HG13 HD12 ' A' ' 125' ' ' LEU . 2.6 t -68.74 -44.27 82.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 118' ' ' LEU . 11.4 t -73.12 -26.65 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.96 -34.47 64.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -86.52 -45.79 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.946 HD13 ' CE1' ' A' ' 130' ' ' PHE . 22.7 mt -78.75 -22.42 46.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.22 8.09 82.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.543 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 83.8 119.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.705 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 18.5 tptt -139.29 8.54 2.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.729 ' O ' HD11 ' A' ' 108' ' ' ILE . 15.2 m-20 85.74 16.74 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.946 ' CE1' HD13 ' A' ' 125' ' ' LEU . 67.3 m-85 -49.44 152.99 1.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.79 ' HG3' HD13 ' A' ' 108' ' ' ILE . 17.9 mt-30 -88.51 157.3 18.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.57 148.99 38.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.669 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.6 t -133.08 85.43 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -86.08 141.86 29.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 94' ' ' HIS . 1.4 mp -96.78 141.11 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -87.38 99.1 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.408 1.067 . . . . 0.0 110.986 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.5 pp -106.16 79.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . 72.85 179.88 36.89 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -159.27 152.52 18.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 110.298 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 113.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.416 1.745 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -51.56 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -134.92 24.42 3.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 144' ' ' LYS . 3.5 ttt85 70.64 11.55 7.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -40.28 -51.07 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.927 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.1 m-20 178.98 92.14 0.17 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.07 81.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.927 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.11 -40.78 90.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.407 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 3.6 t80 -75.16 -20.91 59.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.916 ' CG2' HD11 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -79.71 -31.29 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 1.097 HD13 HG21 ' A' ' 20' ' ' THR . 0.4 OUTLIER -104.91 32.84 3.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.704 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 mm-40 -59.16 -101.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.704 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 14.4 t-20 136.43 46.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.789 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -71.48 28.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.039 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.614 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.6 OUTLIER -18.96 -52.58 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.748 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -75.07 -73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.789 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.07 9.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.61 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.9 OUTLIER -73.52 -34.37 65.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 110.274 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.5 -42.25 87.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.746 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.11 -33.0 50.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.996 ' O ' HG22 ' A' ' 165' ' ' ILE . 2.0 tp10 -75.57 -38.11 59.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.543 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -53.53 -49.98 85.65 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.5 Cg_endo -74.99 -28.64 9.01 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.55 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -62.54 -56.12 20.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.996 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.21 -53.31 20.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.725 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -46.89 -48.18 21.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.39 1.056 . . . . 0.0 108.267 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.548 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -61.03 -46.23 91.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 110.378 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 191' ' ' TRP . 1.4 tt0 -65.88 -45.97 80.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -70.83 -31.02 67.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -60.77 -49.73 76.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 13.1 m-20 -68.59 -40.19 80.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.016 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -65.78 -36.24 82.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.353 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.8 m -64.37 -50.86 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.0 pt-20 -56.79 -47.02 81.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.241 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -66.21 -36.67 83.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.688 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.0 tt -52.81 -52.73 55.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 60.1 mt -74.58 -23.12 17.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -70.58 -30.18 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -114.71 -72.84 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 181' ' ' MET . . . 176.89 -46.0 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.514 ' CB ' ' O ' ' A' ' 180' ' ' GLY . 0.0 OUTLIER 160.26 -25.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 mt-10 -48.1 -50.23 56.12 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.633 ' HB2' HD23 ' A' ' 175' ' ' LEU . 18.4 Cg_endo -74.99 -36.21 2.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.474 1.776 . . . . 0.0 110.994 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.801 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.16 -44.63 83.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.58 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.4 tt0 -66.67 -37.21 84.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.937 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 0.8 OUTLIER -81.67 -24.78 36.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.11 -58.13 2.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.016 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -63.84 -53.54 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.58 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -72.76 -17.21 61.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.575 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.937 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.29 96.13 3.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.591 ' CZ3' ' HG2' ' A' ' 168' ' ' GLN . 16.6 m95 . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 108.061 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 ttp . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.521 0.2 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.3 118.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.512 ' O ' ' CD ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -179.18 90.78 0.21 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.265 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.424 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.03 168.42 24.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.569 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.2 mt -136.04 142.06 44.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -114.63 142.68 46.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.826 HG13 ' CG1' ' A' ' 91' ' ' ILE . 20.9 t -128.93 144.96 36.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.857 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.54 120.09 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.452 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -96.73 110.65 4.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.485 1.116 . . . . 0.0 110.918 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -97.33 109.03 21.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.266 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -128.43 -144.74 5.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -135.76 125.3 16.2 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 127.31 10.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 44.18 -153.95 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.025 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 68.63 137.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 0.801 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -63.58 -12.38 32.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE1' HD13 ' A' ' 151' ' ' LEU . 0.3 OUTLIER -68.47 -17.47 64.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 111.036 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.18 -31.67 69.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 21' ' ' ARG . 16.8 mmt85 -52.93 -36.57 59.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.359 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 p -74.32 36.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.567 ' C ' ' H ' ' A' ' 23' ' ' ASN . 20.5 mtt180 56.84 14.88 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -68.93 11.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.632 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.567 ' H ' ' C ' ' A' ' 21' ' ' ARG . 35.1 t30 -138.25 29.21 2.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.253 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.758 HD12 ' CB ' ' A' ' 95' ' ' ASP . 3.8 mt -50.68 -46.69 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.91 -54.61 11.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 25.5 t80 -79.32 -27.54 42.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 0.8 . . . . 0.0 110.943 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.4 t -70.27 -40.9 78.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG11 ' CD1' ' A' ' 93' ' ' ILE . 2.8 t -73.37 -52.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.976 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -53.05 -43.63 66.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.616 ' O ' ' N ' ' A' ' 34' ' ' ALA . 31.6 m-20 -66.17 -52.32 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.03 -54.26 4.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.393 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -56.05 -59.57 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.46 -14.6 30.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.616 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -87.76 -24.75 23.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.55 1.156 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.4 -40.87 7.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.044 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -74.39 -19.98 60.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 96.33 -35.86 4.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 110.953 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.556 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -28.25 146.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.92 93.92 2.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 1.164 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.27 -171.31 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.5 OUTLIER -160.03 -164.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.522 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . . . -138.23 149.97 46.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.444 ' O ' ' O ' ' A' ' 44' ' ' LYS . 5.7 t-80 -129.37 112.18 13.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 109.616 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -38.49 158.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 74.03 -149.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 110.288 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.481 ' C ' HD11 ' A' ' 79' ' ' LEU . 4.8 p -71.61 50.52 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.12 -57.59 0.15 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.51 1.131 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.931 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 52.02 -171.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.649 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 1.9 mt-10 -75.28 143.4 43.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.253 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.665 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.4 p -176.24 159.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.164 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -140.48 126.09 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.6 125.52 29.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -126.47 123.62 4.81 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -144.02 96.46 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 110.347 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 58' ' ' ARG . 51.7 p -176.75 -152.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.03 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 40.26 30.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 60.89 52.68 50.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.945 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 3' ' ' GLU . 0.2 OUTLIER 163.14 154.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.299 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.585 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -81.25 176.99 9.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.585 HD23 ' C ' ' A' ' 59' ' ' SER . 0.3 OUTLIER -179.33 104.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.518 ' HB ' HD12 ' A' ' 6' ' ' LEU . 55.2 t -108.88 106.87 21.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.976 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -95.56 109.02 21.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -115.2 170.68 8.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.759 ' HZ1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER 174.58 123.66 0.11 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.931 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.06 -150.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.541 1.811 . . . . 0.0 110.935 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.595 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 21.2 mmt180 -90.27 -87.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.589 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -47.51 -22.32 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 108.326 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 32.0 m-85 63.7 -79.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.625 ' HA ' HD13 ' A' ' 10' ' ' LEU . 24.4 ttt -25.9 -98.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 69' ' ' MET . 8.6 m120 -68.59 -31.86 71.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.692 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.98 -35.4 76.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.9 t -75.81 -52.9 9.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.652 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -45.54 -49.34 11.63 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.98 -49.6 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 110.298 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.692 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 1.2 mm-40 -46.6 -48.94 19.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 27.0 mt -67.74 -44.24 85.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.5 -68.41 0.16 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.443 1.09 . . . . 0.0 110.977 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.03 -47.67 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.549 1.815 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -52.74 -40.32 62.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.752 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.78 -50.02 59.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -17.4 61.25 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.6 t80 -74.63 -44.77 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.395 1.059 . . . . 0.0 111.102 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.473 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.8 m-85 -83.1 -11.05 58.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.9 p 56.03 51.85 11.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 2.0 t -97.29 168.25 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.412 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -91.05 156.5 44.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.604 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.2 Cg_endo -74.98 -34.94 3.46 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.5 1.789 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.12 -6.85 25.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.569 ' HA ' HD23 ' A' ' 5' ' ' LEU . 72.7 m-20 -104.82 -23.79 12.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 42.8 mt -88.22 134.73 27.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.826 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -137.64 118.88 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.857 HG22 ' CG2' ' A' ' 8' ' ' VAL . 98.5 t -103.7 124.12 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.615 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -107.03 144.11 16.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.844 ' O ' HD12 ' A' ' 135' ' ' ILE . 9.0 t-160 -154.74 -174.4 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.633 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.758 ' CB ' HD12 ' A' ' 24' ' ' LEU . 5.4 p-10 -106.19 140.5 39.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.635 ' O ' HD13 ' A' ' 137' ' ' ILE . 8.3 t0 -147.42 159.86 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.688 HD21 HG23 ' A' ' 150' ' ' VAL . 2.1 mp -98.74 104.8 16.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.236 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.429 ' O ' ' CG ' ' A' ' 139' ' ' ARG . 22.0 t0 -102.5 -73.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.46 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 9.9 mt -135.11 -96.82 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.165 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.422 ' C ' ' H ' ' A' ' 138' ' ' GLY . 11.2 mt-10 -88.63 172.07 9.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.58 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 1.5 m-85 -92.49 82.57 4.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 159.36 40.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.578 1.174 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.3 mmm-85 -136.64 157.78 45.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 0.77 . . . . 0.0 110.347 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.993 HG23 HD11 ' A' ' 165' ' ' ILE . 1.4 pp -120.64 163.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.2 tpt180 -148.77 108.9 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.908 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -108.0 125.86 52.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -136.6 -179.54 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.245 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.812 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.1 OUTLIER -126.92 -85.0 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.55 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -84.66 -88.23 0.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.094 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.84 -99.23 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 177.06 127.49 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' GLY . 2.6 mp0 -38.74 121.52 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.411 0.713 . . . . 0.0 110.27 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.49 ' CA ' ' NH2' ' A' ' 134' ' ' ARG . . . -38.77 -67.98 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.572 1.17 . . . . 0.0 111.041 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 163.57 43.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.635 ' ND1' HD11 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -118.82 138.33 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.595 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.515 ' CB ' ' CE ' ' A' ' 69' ' ' MET . 1.3 m-20 -55.52 -33.5 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -53.46 -60.58 8.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.635 HD11 ' ND1' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.73 -42.68 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -61.82 -35.47 78.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 116' ' ' ASN . 0.3 OUTLIER -71.48 -32.23 68.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.003 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.815 HG13 HD12 ' A' ' 125' ' ' LEU . 2.4 t -67.74 -45.21 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 127' ' ' THR . 16.1 t -72.32 -27.37 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.05 -33.7 63.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -89.43 -45.59 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.815 HD12 HG13 ' A' ' 121' ' ' VAL . 31.0 mt -77.93 -22.28 49.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.574 ' O ' HG22 ' A' ' 127' ' ' THR . . . 74.61 2.29 63.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.547 1.154 . . . . 0.0 111.045 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.63 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.6 OUTLIER 83.28 130.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 0.738 . . . . 0.0 110.405 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.604 ' O ' ' CG ' ' A' ' 87' ' ' PRO . 8.3 tptt -152.11 17.97 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.812 ' O ' HD11 ' A' ' 108' ' ' ILE . 19.7 m-20 80.73 20.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.438 1.086 . . . . 0.0 109.283 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.645 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 97.2 m-85 -53.59 157.2 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 111.055 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.791 ' HG3' HD13 ' A' ' 108' ' ' ILE . 80.1 mt-30 -95.52 158.54 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -144.28 149.27 36.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.615 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 3.9 t -131.51 87.11 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.244 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 1.6 mpp_? -89.33 145.54 25.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 110.271 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.844 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.8 mt -102.94 147.86 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -99.16 98.15 1.93 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.446 1.091 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.654 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.9 101.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.776 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 53.17 170.88 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -172.89 138.05 0.83 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.505 ' HG3' ' CA ' ' A' ' 146' ' ' PRO . 18.1 Cg_endo -75.01 124.75 8.86 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.575 1.829 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -1.6 11.41 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.44 1.758 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -153.16 23.34 0.78 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 144' ' ' LYS . 1.2 tpt180 58.06 14.82 2.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -39.97 -50.38 2.52 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.976 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.9 OUTLIER -176.33 94.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.505 ' CA ' ' HG3' ' A' ' 140' ' ' PRO . 18.4 Cg_endo -74.98 -57.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.454 1.765 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.45 77.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.976 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.73 -40.85 89.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.416 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.9 OUTLIER -75.53 -22.99 56.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.688 HG23 HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -73.99 -36.15 44.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.569 HD13 ' CE1' ' A' ' 17' ' ' TYR . 30.5 mt -88.31 46.28 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.682 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -72.2 -107.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.336 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.682 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 12.2 t-20 139.36 45.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.372 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.766 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -74.32 31.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 1.078 . . . . 0.0 110.981 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.591 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.75 -52.7 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.427 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.724 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.1 Cg_endo -74.98 -71.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.447 1.762 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.766 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -38.18 10.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.662 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.1 tt0 -75.47 -31.69 60.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.55 -43.32 93.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.716 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.02 -34.73 50.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 1.014 ' O ' HG22 ' A' ' 165' ' ' ILE . 8.6 mm-40 -76.0 -37.01 58.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.7 t -53.7 -50.85 81.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.376 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.01 -27.95 9.56 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.793 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.563 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 6.4 m -63.61 -60.55 3.18 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.139 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.014 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.52 -54.09 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.341 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.7 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.1 m -46.61 -46.47 19.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.296 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -58.32 -45.45 88.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.645 ' CG ' HG13 ' A' ' 188' ' ' VAL . 1.7 tp60 -63.56 -49.06 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.888 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.93 -37.37 84.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.21 -45.67 75.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.314 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.47 -43.66 84.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.355 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.064 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -60.98 -36.9 80.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.7 m -65.01 -53.26 48.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.643 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -57.29 -35.21 69.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.643 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -73.37 -38.63 65.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.777 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -55.96 -42.83 76.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.581 HG22 ' O ' ' A' ' 56' ' ' ALA . 12.2 mt -78.85 -28.73 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -62.77 -43.3 99.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.356 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -147.79 -71.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.403 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.39 -177.4 31.45 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.407 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 1.9 ptt? -90.9 -17.45 26.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.595 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -50.32 -46.3 83.67 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.17 . . . . 0.0 110.253 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.95 -40.49 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.669 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -63.04 -39.2 94.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.557 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.32 -39.41 71.41 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.886 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 20.8 t-20 -79.63 -20.23 47.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.4 ttt180 -96.67 -53.21 3.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.064 HG21 ' HB2' ' A' ' 172' ' ' ALA . 60.4 t -88.14 -57.52 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.557 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 26.6 t-80 -69.8 22.62 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.886 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -97.93 -31.02 12.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.604 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.531 0.205 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.63 145.55 2.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 75.58 108.03 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.35 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.04 168.79 24.03 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.83 HD23 HD22 ' A' ' 89' ' ' ASN . 0.3 OUTLIER -118.65 136.4 53.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -108.11 139.87 42.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.894 HG13 ' CG1' ' A' ' 91' ' ' ILE . 2.7 t -122.46 142.96 36.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.627 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -137.18 118.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.37 109.24 3.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.04 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.709 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -96.57 112.46 24.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 0.754 . . . . 0.0 109.348 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -140.48 -147.42 4.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.616 ' ND2' ' CG ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -121.76 131.2 24.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.568 0.805 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -75.02 66.7 6.03 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.502 1.791 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 60.15 138.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.388 1.055 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 162.59 130.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -51.85 -26.32 9.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 151' ' ' LEU . 1.6 t80 -85.37 -20.07 30.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.499 ' CB ' ' HB3' ' A' ' 12' ' ' ASN . . . -73.41 -40.69 64.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt85 -37.32 -45.07 0.64 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.591 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 36.8 p -34.71 -34.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 110.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.599 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 150.01 -11.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 110.347 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.616 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 1.7 t-160 -53.62 -5.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.61 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.635 ' O ' HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER -115.91 79.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.836 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -121.74 -52.41 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.517 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -41.92 -67.94 0.77 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.652 ' CE1' ' NZ ' ' A' ' 64' ' ' LYS . 22.2 t80 -71.36 -26.14 62.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 0.786 . . . . 0.0 110.993 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 23' ' ' ASN . 0.9 OUTLIER -64.8 -40.72 90.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.405 HG23 HD12 ' A' ' 24' ' ' LEU . 2.3 t -74.2 -52.25 20.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.475 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -58.18 -44.48 88.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 34' ' ' ALA . 46.2 t0 -62.71 -43.02 99.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.626 1.204 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.4 -59.68 3.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 7.2 mt -56.33 -34.71 66.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -76.34 -20.96 56.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -31.84 41.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.9 mpt_? -84.86 -43.79 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.41 -18.56 48.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 94.74 -39.52 2.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.634 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . 60.21 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.372 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -139.27 14.69 2.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.995 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -58.05 -158.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.986 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -158.1 -164.2 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.22 140.17 50.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.24 103.29 14.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.649 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -37.12 62.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.61 -38.26 80.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.871 ' HB3' HD11 ' A' ' 79' ' ' LEU . 2.6 m -89.8 -43.03 10.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.033 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.12 54.93 1.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.62 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 179.46 174.6 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 0.713 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' CD ' ' CE2' ' A' ' 40' ' ' PHE . 1.8 tt0 -87.06 149.74 24.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.697 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 15.4 m -139.34 119.33 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.995 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -127.06 112.68 15.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -92.12 160.54 15.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.398 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.498 ' CA ' ' HG ' ' A' ' 60' ' ' LEU . . . -153.2 -163.6 11.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 7.5 mtp180 -160.79 131.88 5.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 0.746 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.457 ' HB3' ' CD1' ' A' ' 177' ' ' ILE . 1.4 m 170.95 -178.1 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.543 ' H ' HG23 ' A' ' 177' ' ' ILE . . . 52.28 20.14 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 73.08 42.42 43.99 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 mmt-85 175.84 154.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER -67.44 170.3 7.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.016 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.498 ' HG ' ' CA ' ' A' ' 53' ' ' GLY . 2.4 pp -146.43 127.81 14.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.4 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 28.1 t -109.06 107.82 23.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.614 HD22 ' N ' ' A' ' 63' ' ' ALA . 1.2 tm? -101.57 120.91 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.614 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -125.23 161.83 26.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.652 ' NZ ' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -170.01 110.58 0.46 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.64 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.523 1.802 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.511 ' C ' ' N ' ' A' ' 68' ' ' TYR . 33.2 mmt180 -88.19 -86.05 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -44.08 -23.39 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.757 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.0 m-85 64.17 -80.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.458 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -36.0 -83.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -71.55 -37.82 71.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -56.38 -40.11 74.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 110.34 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.757 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.8 t -70.37 -57.52 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.981 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.873 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.36 -52.66 3.55 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.993 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.95 -48.66 20.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 0.753 . . . . 0.0 110.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.597 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 16.8 tp60 -45.1 -48.99 12.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.783 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -68.69 -46.41 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.22 -66.74 0.1 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.993 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.01 -46.73 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.449 1.763 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.871 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.53 -39.67 67.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.832 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.57 -50.99 55.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -73.48 -15.23 61.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.662 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.6 t80 -78.0 -43.8 28.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -81.57 -10.13 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.5 t 52.91 46.39 26.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.409 HG22 ' H ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -95.61 174.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.891 ' HB3' ' OD1' ' A' ' 89' ' ' ASN . . . -83.64 154.59 65.36 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.05 -30.2 7.34 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.36 3.79 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.891 ' OD1' ' HB3' ' A' ' 86' ' ' ALA . 13.0 m120 -104.31 -14.59 15.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mm -91.72 135.1 28.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.894 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -135.3 117.22 20.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.433 ' HA ' HG23 ' A' ' 8' ' ' VAL . 7.3 p -104.61 123.31 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.987 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.8 OUTLIER -104.13 145.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.769 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.6 t-160 -156.66 -178.88 7.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.607 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.563 ' OD1' HG21 ' A' ' 137' ' ' ILE . 5.7 t70 -103.25 146.13 28.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.573 ' N ' ' O ' ' A' ' 135' ' ' ILE . 4.3 t0 -154.88 166.22 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.695 HD11 ' CG2' ' A' ' 150' ' ' VAL . 1.3 mp -100.77 106.67 18.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.361 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CB ' ' HA3' ' A' ' 136' ' ' GLY . 20.5 t0 -98.36 -73.92 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.596 1.185 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.429 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 4.1 mp -135.72 -94.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.424 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -88.0 169.45 11.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.404 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -84.09 96.61 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 111.012 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.655 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 135.47 44.97 0.1 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.148 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -133.35 158.04 43.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.883 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.4 pt -116.42 163.58 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 134' ' ' ARG . 1.7 tpt180 -149.71 97.56 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.856 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.79 129.74 53.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.89 172.91 17.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.737 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.2 tp -97.49 -92.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.737 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -42.92 -78.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 75.31 -103.19 1.56 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -164.46 -61.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 3.5 tp10 84.56 -66.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.775 . . . . 0.0 110.255 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.82 108.68 0.25 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 166.47 -87.52 0.1 OUTLIER Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.417 ' CG ' ' CE ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -62.22 152.15 34.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.596 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -61.24 -62.47 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.274 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.47 -50.63 10.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.699 HD21 HD21 ' A' ' 10' ' ' LEU . 11.1 mt -58.97 -43.58 91.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 0.781 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.536 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.6 ttt180 -66.16 -31.67 72.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 16.3 t -73.97 -28.42 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.873 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.66 -42.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.584 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER -67.45 -43.0 87.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.13 -35.99 69.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -69.47 -48.26 61.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.832 HD21 ' CB ' ' A' ' 80' ' ' ALA . 10.5 mt -81.73 -20.67 38.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 76.62 3.18 78.14 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.14 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 78.61 145.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 0.738 . . . . 0.0 110.337 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 2.8 tmtt? 175.97 36.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 16.3 m-20 61.64 96.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.796 ' CE2' HD13 ' A' ' 125' ' ' LEU . 17.3 m-85 -124.9 171.93 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.408 1.068 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.551 ' CG ' HD12 ' A' ' 108' ' ' ILE . 73.2 mt-30 -107.14 154.06 21.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.46 ' CZ ' ' HD2' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -144.74 149.64 35.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.987 ' HB ' HG22 ' A' ' 93' ' ' ILE . 9.9 t -131.25 85.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 105' ' ' ARG . 4.0 mpp_? -89.02 146.44 24.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.836 HD13 ' HG ' ' A' ' 24' ' ' LEU . 3.0 mt -98.33 148.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.45 93.78 0.98 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.628 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.01 99.58 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 64.08 172.59 2.67 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.422 1.076 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 99' ' ' LEU . 7.9 ptt180 -154.11 151.94 25.54 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.44 0.729 . . . . 0.0 110.302 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 18.2 Cg_endo -75.0 145.94 32.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.801 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.1 Cg_endo -74.96 -19.79 17.6 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.467 1.772 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 164.9 -60.18 0.25 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.479 1.112 . . . . 0.0 111.07 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -161.32 57.17 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.763 . . . . 0.0 110.281 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.36 -53.98 2.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.989 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.2 m-20 169.37 96.04 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.248 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -65.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.502 ' O ' HD22 ' A' ' 151' ' ' LEU . . . -56.15 -41.07 74.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.989 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.13 -39.36 82.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.425 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 10.8 t80 -75.34 -24.49 57.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.695 ' CG2' HD11 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.22 -30.72 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.42 1.075 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.586 HD13 HG13 ' A' ' 150' ' ' VAL . 0.2 OUTLIER -96.17 43.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.56 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.7 mm-40 -72.83 -107.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.583 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 14.8 t30 151.75 46.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.791 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.94 28.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 111.086 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.573 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.14 -52.0 0.1 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.687 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.94 -67.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.791 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -42.14 34.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.598 1.186 . . . . 0.0 109.349 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.9 mt-10 -72.59 -32.47 66.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.85 -42.99 90.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.31 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.735 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.21 -34.56 56.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.933 ' O ' HG22 ' A' ' 165' ' ' ILE . 12.3 mm-40 -75.83 -37.0 59.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -53.09 -50.44 82.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.94 -29.01 8.79 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.532 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.9 m -60.74 -59.46 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.933 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.73 -51.67 48.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.873 ' N ' HD13 ' A' ' 165' ' ' ILE . 52.1 m -46.92 -48.03 21.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 108.328 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.09 -44.9 94.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.343 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.495 ' CG ' HG13 ' A' ' 188' ' ' VAL . 3.2 tp60 -64.45 -47.5 78.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.685 ' HB2' HD13 ' A' ' 104' ' ' ILE . . . -64.7 -35.63 81.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.95 93.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -68.0 -41.24 82.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.048 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.2 -41.08 87.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.0 m -65.18 -53.0 51.5 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.397 1.061 . . . . 0.0 110.349 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.2 pt-20 -57.02 -47.72 80.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.52 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -62.98 -36.52 83.8 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.594 1.184 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.693 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.3 tt -56.3 -49.67 73.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.543 HG23 ' H ' ' A' ' 56' ' ' ALA . 15.0 mt -67.13 -30.87 50.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -57.48 -69.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -121.92 -71.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -154.11 -176.68 26.73 Favored Glycine 0 CA--C 1.528 0.899 0 O-C-N 124.57 1.169 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.425 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 12.4 ptp -92.55 -13.95 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.401 0.707 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.624 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 4.1 mt-10 -53.18 -44.33 96.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.12 -39.16 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.537 1.809 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.647 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.42 -37.78 88.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.575 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.5 tt0 -72.27 -39.91 68.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.846 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 12.8 t30 -78.99 -20.08 50.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -97.91 -52.53 3.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.048 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.7 t -87.57 -57.02 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.575 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.5 t-80 -70.43 22.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.846 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -101.19 -36.08 9.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.655 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.1 p-90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 108.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.471 0.177 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.43 151.67 3.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER 65.96 142.69 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.483 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.1 Cg_endo -75.02 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.6 OUTLIER -130.26 137.57 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.622 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -116.43 141.64 47.9 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.989 HG12 ' CG1' ' A' ' 91' ' ' ILE . 6.9 m -133.79 141.55 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.709 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.43 125.34 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.44 105.33 3.07 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -89.35 96.01 10.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 0.767 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -120.81 -152.46 8.85 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 22' ' ' HIS . 1.2 t30 -134.7 126.47 18.02 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.497 0.763 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 153.51 42.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.594 1.839 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 15' ' ' ALA . . . 75.73 126.52 0.21 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.627 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -58.68 -140.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.57 0.806 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 57.52 -82.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.6 ' CE2' HD11 ' A' ' 151' ' ' LEU . 3.1 t80 -71.88 -19.17 61.98 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.627 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.45 -38.25 68.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.515 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -41.49 -30.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.632 HG21 HD12 ' A' ' 151' ' ' LEU . 23.9 p -76.52 25.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.83 ' NE ' HD21 ' A' ' 24' ' ' LEU . 0.9 OUTLIER 67.56 10.49 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.294 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.6 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -63.97 5.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.602 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.603 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.2 m-20 -121.23 29.84 7.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.851 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -52.52 -64.37 0.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.548 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -35.41 -61.02 0.72 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.48 ' CE1' ' OE2' ' A' ' 49' ' ' GLU . 18.2 t80 -67.35 -33.58 75.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' A' ' 23' ' ' ASN . 2.5 t -66.01 -42.63 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.639 HG23 HD12 ' A' ' 24' ' ' LEU . 2.6 t -69.02 -53.29 26.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.011 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.96 -47.1 81.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.366 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.3 t70 -60.4 -36.12 77.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -62.86 -62.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 7.1 mt -53.97 -26.52 26.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.56 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . . . -87.97 -23.83 23.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -91.85 -4.98 54.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -111.98 -41.68 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.344 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.932 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -82.76 -17.07 45.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.518 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.12 -0.3 78.47 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.6 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -31.1 147.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 0.722 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.37 68.66 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.739 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -78.6 -167.92 1.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.27 -177.38 4.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.558 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -154.57 81.05 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 171.8 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.598 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.494 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.39 -173.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HB2' HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER 85.13 -26.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.972 ' CB ' HD11 ' A' ' 79' ' ' LEU . 1.6 t 165.15 -25.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 119.66 57.19 0.25 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.74 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 178.27 -170.09 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.61 ' OE1' ' CZ ' ' A' ' 40' ' ' PHE . 1.7 mt-10 -76.49 143.4 40.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 31.1 m -155.69 118.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.739 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -119.96 110.11 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.525 HG22 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -100.05 123.51 44.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.389 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -147.06 -162.54 10.0 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.122 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.479 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 2.2 mtt85 -152.18 131.41 12.78 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 0.77 . . . . 0.0 110.23 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 6.6 m -170.02 -173.78 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 1.017 ' CB ' HG21 ' A' ' 177' ' ' ILE . . . 44.59 27.13 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 66.66 43.88 90.95 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 175.0 154.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 0.748 . . . . 0.0 110.305 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.479 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -56.57 169.17 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 110.023 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 pp -153.92 117.58 4.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.529 ' HB ' HD12 ' A' ' 6' ' ' LEU . 41.4 t -106.65 98.44 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.011 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -99.58 104.94 16.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.234 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -126.64 175.98 7.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -179.03 123.47 0.24 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.248 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.74 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -75.01 -158.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.495 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.0 mmt180 -80.98 -84.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.61 -18.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 108.344 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.697 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.9 m-85 61.27 -74.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 111.059 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.514 ' HA ' HD13 ' A' ' 10' ' ' LEU . 66.6 ttp -40.93 -96.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.4 ' N ' ' HG2' ' A' ' 69' ' ' MET . 1.1 t-20 -61.8 -31.58 71.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 0.3 OUTLIER -58.92 -45.52 90.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.301 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.637 ' N ' ' O ' ' A' ' 68' ' ' TYR . 34.2 t -68.95 -36.0 77.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.543 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -55.83 -51.53 54.64 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.559 1.162 . . . . 0.0 110.985 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 1.057 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -82.19 -36.3 27.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.278 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.674 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.0 mm-40 -61.02 -46.11 92.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.785 ' O ' ' N ' ' A' ' 80' ' ' ALA . 76.8 mt -71.08 -50.6 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.44 -62.74 0.15 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 1.057 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -47.49 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.972 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -56.15 -39.51 72.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.829 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.03 -49.04 66.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -74.84 -18.09 60.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.157 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.655 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -72.67 -45.46 58.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.631 ' HB3' HG23 ' A' ' 85' ' ' VAL . 14.2 m-85 -81.62 -9.13 59.74 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.8 t 55.61 50.21 14.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.946 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' HB3' ' A' ' 83' ' ' TYR . 21.8 t -103.47 167.71 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.742 ' HB3' ' OD1' ' A' ' 89' ' ' ASN . . . -84.62 155.42 62.19 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HB2' ' C ' ' A' ' 129' ' ' ASP . 18.3 Cg_endo -75.07 -24.92 12.24 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.4 1.94 14.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.605 1.191 . . . . 0.0 109.332 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.742 ' OD1' ' HB3' ' A' ' 86' ' ' ALA . 29.6 m120 -107.94 -24.8 11.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.442 HG12 HD22 ' A' ' 6' ' ' LEU . 22.9 mt -86.87 132.41 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.989 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -137.9 120.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.373 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 10' ' ' LEU . 9.5 p -105.1 131.57 53.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.589 HD13 HD11 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -106.26 151.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.862 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.8 t-160 -154.13 172.29 17.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.577 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.531 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -103.26 141.36 36.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -155.11 170.26 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 109.276 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.981 HD12 ' HD3' ' A' ' 140' ' ' PRO . 0.3 OUTLIER -107.04 132.03 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 139' ' ' ARG . 14.6 t0 -126.6 -67.21 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.419 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 3.0 mp -133.95 -97.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.73 178.01 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -92.77 71.99 4.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.441 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 168.81 41.1 0.03 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.488 1.117 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.633 ' HD3' ' CZ2' ' A' ' 191' ' ' TRP . 10.5 mmt85 -135.71 161.68 34.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 0.788 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.026 HG23 HD11 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -123.63 163.28 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.28 98.26 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.85 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -108.3 142.2 38.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 167.48 27.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.815 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -119.6 -82.9 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.489 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -50.93 -35.13 31.58 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.467 1.104 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -42.11 97.82 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.36 156.13 26.71 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -39.5 -59.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 81.68 -51.71 4.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.581 1.176 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -168.51 58.8 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.494 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -130.22 127.17 39.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 0.799 . . . . 0.0 109.552 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -44.27 64.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.335 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.412 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -65.41 -58.15 10.03 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.813 HD13 ' HD3' ' A' ' 132' ' ' ARG . 13.7 mt -55.56 -49.32 73.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 0.81 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 3.8 ttt-85 -59.97 -35.19 74.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.421 1.075 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.2 t -69.66 -30.38 68.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.535 HG13 HD12 ' A' ' 125' ' ' LEU . 2.7 t -71.96 -42.3 68.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 127' ' ' THR . 12.9 t -73.79 -28.96 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.235 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.7 -37.43 62.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 109.407 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 80' ' ' ALA . 29.3 mt -78.09 -25.09 47.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 61.05 10.94 23.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.686 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -103.45 -154.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 110.419 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.607 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -176.69 62.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.468 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 1.8 m-20 -149.87 16.32 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.728 ' CE1' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -85.67 156.77 20.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -102.89 157.84 16.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.813 ' HD3' HD13 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -137.28 147.41 45.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.85 HG22 ' HB2' ' A' ' 106' ' ' LEU . 3.8 t -135.51 84.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 9.3 mtp180 -86.31 160.38 19.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.862 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.1 mp -112.47 154.16 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -109.72 96.27 0.94 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.131 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.669 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -105.85 101.85 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 61.48 179.3 3.1 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.523 1.139 . . . . 0.0 111.046 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -152.61 150.77 25.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 110.347 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.981 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 143.58 29.26 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -75.01 -30.4 7.19 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.458 1.767 . . . . 0.0 111.079 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 174.1 -85.37 0.08 OUTLIER Glycine 0 CA--C 1.532 1.114 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -137.3 69.18 1.4 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 0.777 . . . . 0.0 110.325 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.11 -66.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.957 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER 177.39 95.4 0.13 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -57.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.64 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.957 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.18 -39.15 81.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.443 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.4 t80 -75.78 -22.49 56.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.699 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -80.95 -26.7 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.699 HD22 HG12 ' A' ' 150' ' ' VAL . 1.0 OUTLIER -91.18 39.43 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.8 mm-40 -66.91 -105.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.637 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 12.1 t30 143.85 46.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.819 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.97 28.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -20.78 -52.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.472 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.708 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.91 -71.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.51 1.795 . . . . 0.0 111.031 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.819 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.82 11.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.673 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.8 mt-10 -75.41 -30.66 60.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.335 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.97 -45.14 91.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.686 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.66 -34.48 53.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 1.041 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.1 mm-40 -75.38 -37.18 60.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.704 HG22 ' HE ' ' A' ' 21' ' ' ARG . 1.8 t -53.7 -52.16 69.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -26.76 10.69 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.429 1.752 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.617 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.3 m -64.69 -60.16 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.392 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.041 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.76 -54.36 25.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.762 ' N ' HD13 ' A' ' 165' ' ' ILE . 67.7 m -45.99 -49.07 16.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.273 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.51 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -56.58 -47.31 79.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.524 ' HB3' HG13 ' A' ' 188' ' ' VAL . 19.8 mm-40 -61.44 -47.46 85.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.907 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.26 -40.55 94.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.61 70.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 44.8 m-20 -66.99 -44.79 79.48 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.055 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.53 -42.69 88.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.894 ' O ' HD12 ' A' ' 177' ' ' ILE . 92.1 m -61.88 -52.28 64.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.5 OUTLIER -59.67 -47.11 86.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.499 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.09 -42.72 88.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.71 ' C ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -49.22 -50.94 36.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 1.017 HG21 ' CB ' ' A' ' 56' ' ' ALA . 1.8 mt -76.22 -23.5 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.76 -31.94 73.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.223 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -158.57 -71.44 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.419 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -154.99 170.76 33.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.412 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.5 ptm -89.01 -18.81 26.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.747 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.79 -47.59 72.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -39.96 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.59 -37.0 85.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.533 ' HA ' ' CB ' ' A' ' 189' ' ' HIS . 1.2 tt0 -71.9 -41.17 68.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 110.299 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.757 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -78.89 -20.68 48.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -95.37 -52.39 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.055 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.9 t -89.77 -59.44 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.533 ' CB ' ' HA ' ' A' ' 185' ' ' GLN . 16.4 t-80 -66.8 23.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.571 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.757 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -107.58 -33.53 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.687 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 mtt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.503 0.192 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.81 123.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 4' ' ' PRO . 5.8 pt-20 -170.66 64.26 0.44 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.461 1.101 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 -172.94 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -136.26 140.84 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -112.62 142.09 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.9 HG12 HG12 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -130.36 145.78 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -134.96 123.6 41.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -95.4 113.2 4.56 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.822 HD13 ' CE1' ' A' ' 94' ' ' HIS . 4.8 mt -89.38 108.23 19.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 0.718 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' O ' ' CB ' ' A' ' 68' ' ' TYR . . . -117.54 -170.61 15.24 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.543 1.152 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.502 ' CG ' ' CD1' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -134.03 116.33 13.37 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.322 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -155.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.485 1.782 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.896 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 78.94 -148.87 32.17 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.459 1.1 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -112.11 -73.87 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -53.04 -42.13 65.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.502 ' CD1' ' CG ' ' A' ' 12' ' ' ASN . 1.4 m-85 -83.51 -16.28 46.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.067 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.896 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -48.6 -24.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.872 ' O ' ' N ' ' A' ' 21' ' ' ARG . 14.1 mmt85 -140.62 -98.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 19' ' ' ARG . 1.2 t 51.87 -57.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.872 ' N ' ' O ' ' A' ' 19' ' ' ARG . 4.4 ppt_? 168.71 -27.81 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.637 ' CE1' ' CZ ' ' A' ' 21' ' ' ARG . 71.1 m80 -71.45 13.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.551 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.673 ' O ' HG23 ' A' ' 27' ' ' VAL . 64.0 t30 -110.88 16.65 21.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.955 HD13 ' CG ' ' A' ' 95' ' ' ASP . 0.0 OUTLIER -60.41 -42.62 96.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.63 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -46.56 -60.62 4.67 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.555 1.16 . . . . 0.0 110.999 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.624 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 8.4 t80 -75.84 -26.83 57.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 23' ' ' ASN . 12.2 t -71.08 -40.61 75.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.547 ' N ' ' O ' ' A' ' 24' ' ' LEU . 7.3 t -70.73 -53.11 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.61 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -57.24 -32.74 66.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.444 1.09 . . . . 0.0 109.244 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -67.65 -48.72 65.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -52.15 -56.6 13.5 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -56.53 -50.5 71.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.55 -26.52 66.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.14 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -71.27 -38.97 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -84.51 -43.59 14.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.456 1.097 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -169.19 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.54 27.21 15.83 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -87.91 119.59 28.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 0.726 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -97.98 11.46 37.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.94 ' CD1' ' HB2' ' A' ' 51' ' ' ALA . 23.0 m-85 57.51 147.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' VAL . 0.8 OUTLIER -121.8 178.38 4.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -158.02 136.76 11.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.468 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.1 m80 -142.45 162.71 34.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.546 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' GLY . 3.7 ttmt -80.12 -178.99 6.81 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' C ' ' H ' ' A' ' 47' ' ' GLY . 0.9 OUTLIER 48.1 -126.62 1.85 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.415 1.072 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.968 ' O ' HD11 ' A' ' 79' ' ' LEU . 4.3 p -78.66 13.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -66.14 -72.26 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.548 1.155 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.899 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 59.25 -166.56 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -85.4 148.18 26.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -163.71 132.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.94 ' HB2' ' CD1' ' A' ' 40' ' ' PHE . . . -123.53 122.64 38.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.41 161.77 24.79 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.525 1.14 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.55 ' HA3' HD21 ' A' ' 60' ' ' LEU . . . -153.4 117.51 0.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -111.89 103.53 11.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.545 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 179.87 -170.23 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.981 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 57.69 17.69 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.402 1.064 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.66 34.95 55.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.545 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 178.19 157.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -83.09 167.09 18.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.55 HD21 ' HA3' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -149.42 126.1 11.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 6' ' ' LEU . 69.9 t -105.73 110.55 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.3 tm? -104.26 125.31 50.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -127.21 166.89 16.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.226 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.69 110.7 0.19 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.899 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.0 -156.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.511 1.795 . . . . 0.0 111.018 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' C ' ' N ' ' A' ' 68' ' ' TYR . 18.0 mmt180 -82.13 -84.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.643 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.25 -19.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 108.323 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.702 ' O ' ' N ' ' A' ' 72' ' ' SER . 7.4 m-85 61.81 -81.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.698 ' HA ' HD22 ' A' ' 10' ' ' LEU . 47.6 ttm -35.23 -87.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.606 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 1.4 m-20 -68.73 -39.85 80.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.643 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 2.0 tp10 -52.67 -38.34 60.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.719 ' HB3' HD21 ' A' ' 10' ' ' LEU . 21.8 t -74.42 -45.76 44.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.707 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -46.3 -50.22 13.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.967 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.37 -55.34 5.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 110.228 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.631 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 2.2 tt0 -39.42 -49.75 2.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.727 ' O ' ' N ' ' A' ' 80' ' ' ALA . 57.2 mt -67.12 -43.67 88.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.404 1.065 . . . . 0.0 109.199 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.94 -68.88 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.967 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -48.18 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.968 HD11 ' O ' ' A' ' 46' ' ' SER . 1.7 mt -51.97 -40.07 60.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.773 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.57 -50.24 59.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -16.62 60.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.72 ' N ' ' O ' ' A' ' 78' ' ' PRO . 8.2 t80 -75.77 -44.11 43.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -80.63 -13.85 58.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.3 t 52.85 46.45 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 86' ' ' ALA . 12.3 p -97.75 170.15 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.505 ' N ' HG22 ' A' ' 85' ' ' VAL . . . -82.73 157.76 66.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.739 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -31.44 6.25 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -71.33 -3.18 19.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 6' ' ' LEU . 66.6 m-20 -103.37 -29.25 11.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.556 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 4.7 mt -89.19 134.58 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.9 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -138.01 139.21 42.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.413 ' HA ' HG23 ' A' ' 8' ' ' VAL . 1.1 p -118.48 122.91 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.883 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.2 pt -100.96 141.03 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.822 ' CE1' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -154.41 166.23 33.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.587 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.955 ' CG ' HD13 ' A' ' 24' ' ' LEU . 39.7 t0 -109.42 140.25 43.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.568 ' O ' HG13 ' A' ' 137' ' ' ILE . 1.5 t70 -150.98 150.42 30.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.85 HD22 HG21 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -76.65 116.0 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 14.2 t0 -114.54 -83.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.402 1.064 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.436 ' O ' ' HA3' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -134.16 -73.83 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' A' ' 102' ' ' GLY . 1.6 tm-20 -87.66 162.41 17.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.6 1.188 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.92 29.23 2.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.485 ' N ' ' OE1' ' A' ' 100' ' ' GLU . . . -160.59 48.25 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.94 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp85 -130.69 164.24 25.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 0.807 . . . . 0.0 110.246 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.912 HG23 HD11 ' A' ' 165' ' ' ILE . 1.2 pp -125.24 163.37 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.543 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.5 tpt85 -149.97 98.16 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.791 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.94 138.19 41.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 106' ' ' LEU . 14.2 mtpt -154.43 179.32 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.565 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -106.16 -56.38 4.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.565 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -100.73 -63.28 0.79 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.85 92.54 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -157.64 -46.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.441 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 28.7 tt0 -43.39 -60.15 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 38.1 -112.33 0.19 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.7 54.42 0.59 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 1.4 m80 -117.93 119.52 35.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 109.617 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -64.04 -52.92 57.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.455 ' CA ' ' HG3' ' A' ' 69' ' ' MET . . . -51.1 -58.35 9.75 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.654 ' O ' HG23 ' A' ' 122' ' ' VAL . 6.0 mt -52.02 -45.24 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -45.82 89.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -61.37 -31.24 71.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.667 HG22 ' HA2' ' A' ' 73' ' ' GLY . 11.0 t -68.9 -44.7 81.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 118' ' ' LEU . 12.9 t -68.61 -25.09 30.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.37 61.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.707 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -79.0 -42.15 27.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.041 HD13 ' CE2' ' A' ' 130' ' ' PHE . 21.9 mt -78.94 -22.49 45.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.18 9.39 67.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.411 1.07 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 82.15 111.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 0.785 . . . . 0.0 110.388 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 87' ' ' PRO . 17.9 tptt -132.61 19.63 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.551 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 94.2 m-20 66.86 21.08 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.624 1.202 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 1.041 ' CE2' HD13 ' A' ' 125' ' ' LEU . 28.8 m-85 -51.46 169.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.438 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 29.6 mt-30 -95.57 155.66 16.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mtt-85 -141.81 148.48 38.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.259 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.883 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.4 t -136.21 82.33 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -88.91 142.92 27.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.94 HG23 ' O ' ' A' ' 103' ' ' ARG . 5.0 mp -98.89 148.41 6.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -103.65 105.92 2.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 1.02 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.7 pp -118.8 71.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . -73.83 -162.51 8.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.143 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.541 ' NH2' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -177.93 155.82 1.05 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 110.279 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 112.89 3.66 Favored 'Trans proline' 0 C--N 1.362 1.259 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -171.25 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.51 1.795 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 147.77 43.02 0.03 OUTLIER Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 52.51 20.12 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 12.1 ttmt -85.84 -77.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.952 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.3 OUTLIER 177.13 96.93 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -45.41 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -63.85 -43.27 96.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.952 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -61.2 -42.57 98.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.6 OUTLIER -72.47 -23.58 61.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 111.043 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.85 HG21 HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -75.32 -36.25 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.893 ' O ' HD23 ' A' ' 151' ' ' LEU . 6.8 tt -114.14 35.78 4.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 9.6 tm-20 -66.87 -88.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.35 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.649 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.1 t30 152.49 50.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.103 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.685 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -66.93 25.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.649 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -25.03 -51.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.421 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.665 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.01 -67.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 111.024 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.685 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.75 -43.94 38.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.9 mt-10 -73.71 -28.81 61.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.018 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.92 -45.39 86.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.684 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.46 -33.29 42.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.855 ' O ' HG22 ' A' ' 165' ' ' ILE . 7.9 tp10 -75.3 -36.5 61.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.581 1.175 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -56.06 -52.4 72.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.018 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.01 -25.23 12.05 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.517 1.799 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.596 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.5 m -61.67 -59.47 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.912 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -71.69 -50.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.817 ' N ' HD13 ' A' ' 165' ' ' ILE . 60.4 m -47.86 -46.55 31.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 108.266 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 3.2 tt0 -62.96 -45.31 93.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.559 ' HG2' ' CH2' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -65.1 -46.68 80.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.829 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -70.7 -36.46 73.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.34 -48.1 77.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 32.5 m-20 -67.55 -40.67 84.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.638 ' CB ' ' CG2' ' A' ' 188' ' ' VAL . . . -65.39 -36.08 82.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.596 1.185 . . . . 0.0 109.239 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.2 m -64.16 -50.48 68.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.459 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.25 -48.01 79.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -66.61 -40.17 88.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.703 ' C ' HD23 ' A' ' 176' ' ' LEU . 2.9 tt -49.6 -50.02 44.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.172 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.9 mm -79.08 -21.9 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 11.5 tm-20 -59.04 -41.59 88.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -142.33 -71.33 0.33 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -153.99 175.82 32.11 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.82 -13.13 34.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.384 0.697 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.569 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -48.15 -47.78 65.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.05 -36.63 2.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.541 1.811 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.702 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.78 -41.28 92.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.6 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -68.91 -39.04 79.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 1.019 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -81.9 -23.82 36.03 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 1.6 ttt180 -94.68 -55.48 3.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 110.326 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.702 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -73.97 -50.71 27.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.6 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.15 16.41 1.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.579 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 1.019 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -75.31 -47.31 28.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.572 ' CH2' ' HA ' ' A' ' 188' ' ' VAL . 34.4 p90 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.481 1.113 . . . . 0.0 108.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.509 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 1.3 mpp? . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.469 0.176 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . 175.31 -171.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -98.89 124.84 44.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.334 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.48 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.95 176.47 9.86 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.459 1.768 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.14 139.27 44.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -109.05 144.58 36.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -129.41 141.29 46.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -135.0 122.51 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -88.62 105.29 3.15 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.588 1.18 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -86.6 100.27 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.335 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.487 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -119.76 -165.02 12.84 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.446 ' C ' ' H ' ' A' ' 14' ' ' GLY . 1.6 m-80 -136.98 118.93 11.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.592 0.819 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' CG ' ' HA ' ' A' ' 67' ' ' CYS . 18.1 Cg_endo -75.08 14.81 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 17' ' ' TYR . . . -60.09 -141.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.429 1.081 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -156.17 -98.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 0.741 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -36.59 -66.11 0.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.007 ' O ' HG22 ' A' ' 20' ' ' THR . 1.2 p90 -68.66 -23.57 64.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -66.66 -25.84 66.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' C ' ' H ' ' A' ' 21' ' ' ARG . 3.3 tpt180 -73.96 -25.28 59.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.007 HG22 ' O ' ' A' ' 17' ' ' TYR . 5.8 t -63.15 -3.2 1.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.357 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.68 ' CB ' ' O ' ' A' ' 20' ' ' THR . 10.3 tpp180 101.7 9.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.24 3.21 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.715 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.3 t-20 -121.49 37.99 4.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD23 ' HG3' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -52.37 -62.63 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.503 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -38.81 -62.79 1.12 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.8 t80 -65.5 -30.13 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.436 0.727 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.9 t -69.14 -42.35 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.895 HG11 HD13 ' A' ' 93' ' ' ILE . 4.1 p -79.69 -34.38 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.687 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -65.38 -45.05 85.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.563 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 19.8 t0 -70.76 -43.4 68.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -55.12 -53.24 58.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 mt -56.45 -59.69 4.61 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.606 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -60.46 -18.2 49.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -83.04 -26.1 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -101.11 -42.83 6.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -22.37 66.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.9 -2.83 82.49 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -33.02 151.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.768 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -133.58 39.45 3.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.786 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.58 -149.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.568 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.3 -163.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.96 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -135.79 120.16 17.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 10.8 t-160 -177.27 -121.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.675 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 64.53 140.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.243 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.3 OUTLIER -37.76 -31.68 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.557 1.16 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.793 ' CB ' HD11 ' A' ' 79' ' ' LEU . 10.9 p -63.16 -53.87 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 96.82 69.46 1.0 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.53 1.144 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.901 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -165.24 -176.73 4.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.439 0.729 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.96 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 34.4 tp10 -86.62 152.6 22.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.786 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 1.1 p -172.44 156.37 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.707 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -144.75 128.41 17.18 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 126.11 35.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.42 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -128.92 110.86 1.14 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 55' ' ' SER . 3.0 mtp180 -115.96 108.16 15.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.746 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.618 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.6 OUTLIER 164.99 -168.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.614 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 68.37 6.84 5.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.281 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.66 19.3 35.14 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.618 ' O ' ' O ' ' A' ' 55' ' ' SER . 3.6 tpm_? -178.9 159.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -80.91 171.86 14.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.958 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -157.87 121.86 4.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.623 HG11 HD11 ' A' ' 6' ' ' LEU . 33.7 t -108.74 98.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.687 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -95.0 112.87 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -122.88 169.35 11.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.628 ' HZ1' ' HE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 175.21 115.48 0.11 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.901 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.05 -153.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.57 1.826 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.0 mmt180 -88.23 -86.57 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.234 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.596 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.1 -24.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 108.385 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.89 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.2 m-85 64.31 -81.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.516 ' C ' ' O ' ' A' ' 68' ' ' TYR . 35.4 ttm -27.25 -94.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.477 ' N ' ' HG2' ' A' ' 69' ' ' MET . 10.1 t-20 -68.42 -33.86 74.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.8 mt-10 -61.7 -28.81 69.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.89 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.6 t -80.82 -51.22 8.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.594 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -48.88 -49.59 28.53 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.973 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.5 -46.92 36.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 0.719 . . . . 0.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 2.7 tm0? -45.09 -49.81 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.772 ' O ' ' N ' ' A' ' 80' ' ' ALA . 12.7 mt -68.01 -44.66 84.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.49 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.52 -68.11 0.11 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.973 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.0 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.532 1.806 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.793 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.51 -41.17 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 1.014 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.86 -50.16 63.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.23 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -18.17 61.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.674 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.2 t80 -75.34 -43.66 49.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.964 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -79.67 -7.71 58.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 t 56.48 53.02 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.056 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 69.4 t -125.45 158.94 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.18 157.47 62.44 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.794 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.95 -15.36 20.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.484 1.781 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.23 -8.45 31.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.092 . . . . 0.0 109.273 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.637 ' O ' ' N ' ' A' ' 6' ' ' LEU . 76.9 m-20 -108.28 -22.49 12.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.672 HG12 HD22 ' A' ' 6' ' ' LEU . 7.7 mt -87.13 136.77 22.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.407 1.067 . . . . 0.0 109.215 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.838 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -135.57 141.4 42.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.248 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.6 p -119.12 136.59 55.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.112 . . . . 0.0 109.33 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.895 HD13 HG11 ' A' ' 28' ' ' VAL . 4.3 tt -112.7 144.32 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.56 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -153.58 172.77 16.69 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.557 1.161 . . . . 0.0 109.65 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.545 ' OD1' ' C ' ' A' ' 95' ' ' ASP . 0.4 OUTLIER -96.27 143.02 27.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 6.1 t0 -150.26 160.03 44.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.766 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -104.2 108.98 20.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' O ' ' CB ' ' A' ' 139' ' ' ARG . 3.7 m-20 -99.47 -78.06 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.423 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -135.72 -87.27 0.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.443 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -88.94 172.44 9.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.583 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -92.08 99.26 12.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 111.08 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.541 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . 135.17 48.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.413 1.071 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.857 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -134.52 155.06 51.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 0.79 . . . . 0.0 110.282 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.988 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.9 pp -121.98 155.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -144.87 106.52 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.781 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.66 139.78 39.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 7.5 mtpt -150.33 -179.41 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.666 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -134.48 -88.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.666 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -87.71 39.68 3.1 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.87 92.52 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.26 38.82 1.19 Allowed Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 2.6 tt0 57.58 104.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -39.68 -62.47 1.39 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 151.18 54.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.69 142.63 46.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -56.43 -32.33 64.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.443 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.11 -59.02 11.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.446 1.091 . . . . 0.0 110.964 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.493 HD22 HG11 ' A' ' 92' ' ' VAL . 6.7 mt -55.17 -49.8 70.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -58.04 -36.09 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 124' ' ' ALA . 7.4 t -72.35 -30.07 64.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.994 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.594 HG22 ' HA2' ' A' ' 73' ' ' GLY . 26.7 t -66.75 -45.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.587 1.179 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.695 HG13 ' O ' ' A' ' 127' ' ' THR . 28.4 t -74.11 -28.86 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.04 -36.85 47.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.393 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.22 -47.5 67.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.014 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER -84.1 -24.74 30.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 66.35 5.76 30.3 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.695 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -92.84 -157.69 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.442 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.461 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 9.2 tptt -169.89 74.31 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.543 ' HB2' ' HG2' ' A' ' 87' ' ' PRO . 0.5 OUTLIER -166.48 20.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.794 ' CD2' ' HB3' ' A' ' 87' ' ' PRO . 3.8 m-85 -80.71 158.09 25.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.62 ' OE1' HG22 ' A' ' 91' ' ' ILE . 58.5 mt-30 -101.17 156.56 17.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.252 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.483 ' HD3' HD13 ' A' ' 118' ' ' LEU . 6.5 mtt-85 -133.71 148.03 51.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.691 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.7 t -144.17 83.04 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.238 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.5 OUTLIER -91.99 142.21 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 110.244 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.857 HG23 ' O ' ' A' ' 103' ' ' ARG . 5.1 mp -99.27 149.37 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.25 100.04 1.77 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.2 pp -113.39 98.84 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 60.38 174.51 1.04 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.437 1.085 . . . . 0.0 111.08 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.462 ' CB ' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER 171.46 132.24 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.534 0.785 . . . . 0.0 110.321 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.46 ' HD2' HD12 ' A' ' 97' ' ' LEU . 18.0 Cg_endo -75.1 168.4 24.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.492 1.785 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.0 -35.18 3.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 144' ' ' LYS . . . -170.1 -132.64 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.441 1.088 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.67 73.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 142' ' ' GLY . 1.0 OUTLIER -120.02 -76.07 0.58 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.887 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 53.6 p-10 175.22 80.87 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.573 1.17 . . . . 0.0 109.29 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.592 ' HB2' HD11 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -75.05 -59.0 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.506 1.793 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.02 -42.13 79.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.887 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -61.1 -42.94 99.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.467 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 8.0 t80 -75.52 -23.11 56.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.49 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -76.17 -31.46 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.589 ' HA ' HG21 ' A' ' 20' ' ' THR . 3.9 mt -97.49 42.93 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 14.2 mm-40 -74.55 -106.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.449 1.093 . . . . 0.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.575 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 7.8 t-20 153.27 47.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.827 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -71.86 28.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.576 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.94 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.362 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.698 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -75.08 -71.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.827 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.54 -41.31 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.675 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.4 OUTLIER -75.16 -29.76 60.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.009 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.73 -44.58 90.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.371 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.712 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.93 -34.13 44.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.229 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.67 ' O ' HG22 ' A' ' 165' ' ' ILE . 5.6 mm-40 -75.62 -36.29 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.221 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.675 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -55.28 -51.36 80.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.009 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.97 -25.89 11.49 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -61.18 -61.21 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.999 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -70.3 -45.38 75.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.999 ' N ' HD13 ' A' ' 165' ' ' ILE . 28.3 m -49.55 -48.51 48.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 108.285 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.1 tt0 -61.15 -47.07 87.9 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.612 ' OE1' ' CD1' ' A' ' 191' ' ' TRP . 0.4 OUTLIER -63.69 -47.74 79.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.923 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.66 -38.16 86.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.39 -41.41 80.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -67.53 -44.11 79.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.362 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.087 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.27 -42.36 86.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 16.3 m -65.22 -52.67 53.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.02 -46.33 85.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.331 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.497 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.24 -41.98 96.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.2 tt -51.3 -50.95 58.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 56' ' ' ALA . 11.0 mm -71.39 -25.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.392 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.05 -41.33 82.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -145.94 -71.95 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.334 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -162.08 175.35 38.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.456 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -87.2 -22.17 25.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.984 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -43.28 -51.0 14.98 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.96 -38.64 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.439 1.758 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.606 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.73 -37.22 86.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.561 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.2 tt0 -72.38 -41.15 66.66 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.528 1.142 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.808 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 22.0 t-20 -78.35 -21.05 50.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -95.54 -52.94 3.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.584 1.177 . . . . 0.0 110.275 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.087 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.8 t -88.76 -58.8 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 8.4 t-80 -67.24 23.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -103.59 -36.64 7.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.683 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 108.054 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.441 0.162 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.93 -64.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.322 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -172.65 91.4 0.39 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.384 1.052 . . . . 0.0 110.314 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 141.88 27.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -131.46 135.76 47.38 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.698 HD22 HG12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -117.39 140.64 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.554 HG13 HG12 ' A' ' 91' ' ' ILE . 3.0 t -121.56 141.98 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.632 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.98 123.33 34.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.1 115.72 5.35 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.475 1.109 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -101.07 95.69 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -120.07 -142.78 6.72 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.578 1.174 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 22' ' ' HIS . 4.4 m120 -138.96 128.05 14.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 0.795 . . . . 0.0 109.32 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.687 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.05 -9.56 20.75 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 110.948 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.7 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -53.82 -110.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.47 1.106 . . . . 0.0 110.948 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 162.62 -88.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 0.776 . . . . 0.0 109.33 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' ALA . 1.6 m120 -38.83 -61.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.573 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.8 OUTLIER -76.81 -19.52 57.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.069 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.496 ' HB3' ' CA ' ' A' ' 15' ' ' ALA . . . -74.03 -27.79 61.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.637 ' HG2' HG23 ' A' ' 155' ' ' THR . 2.5 tpt180 -59.24 -54.34 47.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.117 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.89 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 70.1 p -29.52 -40.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.89 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 150.51 -1.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -63.52 5.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.617 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.659 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.2 t-20 -127.68 42.84 3.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD12 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -65.6 -64.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.81 -42.31 4.82 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.554 1.159 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -79.29 -34.55 42.37 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.552 0.795 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.6 t -67.26 -38.4 80.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.194 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.884 HG21 HD11 ' A' ' 93' ' ' ILE . 25.6 t -72.78 -52.52 22.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.018 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.01 -46.96 78.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 34' ' ' ALA . 18.4 t0 -60.56 -43.13 97.63 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.123 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.603 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -50.87 -59.92 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 3.5 mt -52.54 -50.91 61.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.572 1.17 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.82 -25.2 66.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.603 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -72.19 -38.76 69.01 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -43.87 14.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.9 -164.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -92.71 -11.58 59.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.28 103.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 0.782 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 87.49 0.26 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.742 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -149.82 -157.82 0.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.646 ' O ' ' HB2' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -117.12 177.33 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 41' ' ' LYS . . . 167.22 110.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.3 OUTLIER 174.86 -150.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.685 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 45' ' ' ARG . 5.9 tptp -75.84 -19.93 58.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER -34.08 -55.39 0.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.4 p -113.94 -20.53 11.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 104.63 36.24 3.08 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 161.63 -170.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.766 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.584 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -88.13 144.84 26.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.612 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -142.71 104.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 0.0 109.337 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.742 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -104.16 104.03 13.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 1.094 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.98 126.19 46.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.397 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -144.81 -163.23 9.94 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.441 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.0 ttp180 -151.33 131.11 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.421 0.718 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.453 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -163.25 -179.51 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 110.027 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 43.29 25.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.369 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.64 51.83 28.55 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 175.36 154.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.3 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.0 172.26 8.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -161.62 126.15 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.094 HG22 HG22 ' A' ' 52' ' ' THR . 6.6 t -109.52 101.11 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.018 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -101.21 107.45 18.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -121.31 172.76 7.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 176.48 123.27 0.16 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.779 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.0 -156.9 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.807 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.687 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -84.31 -82.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.187 . . . . 0.0 110.233 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.514 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.6 OUTLIER -47.44 -21.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.493 1.12 . . . . 0.0 108.354 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.837 ' O ' ' N ' ' A' ' 72' ' ' SER . 31.2 m-85 60.09 -78.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.99 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.773 ' HA ' HD13 ' A' ' 10' ' ' LEU . 37.0 ttm -30.87 -91.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' H ' ' HB3' ' A' ' 69' ' ' MET . 16.2 m-20 -70.65 -32.59 69.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -60.98 -34.64 75.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.837 ' N ' ' O ' ' A' ' 68' ' ' TYR . 28.3 t -76.37 -50.86 13.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.842 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.22 -50.62 16.46 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.566 1.166 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.42 -46.56 32.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 110.291 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -46.25 -49.42 17.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 80' ' ' ALA . 54.3 mt -67.75 -46.51 82.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.532 ' HA3' ' HB1' ' A' ' 124' ' ' ALA . . . -29.23 -67.7 0.09 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.96 -46.48 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.757 . . . . 0.0 111.039 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.92 -40.69 66.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 109.286 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.771 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.39 -50.33 60.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -15.86 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.706 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.4 t80 -76.03 -42.9 46.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.8 -0.64 35.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.4 t 51.87 46.07 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 89' ' ' ASN . 0.8 OUTLIER -125.81 163.09 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.225 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -89.18 154.62 49.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.397 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.522 ' HB2' ' HB3' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.98 -5.47 16.84 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.553 1.818 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' O ' ' NE2' ' A' ' 131' ' ' GLN . . . -62.35 -16.15 52.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.692 HD21 HG22 ' A' ' 85' ' ' VAL . 5.8 p30 -105.05 -18.59 14.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.698 HG12 HD22 ' A' ' 6' ' ' LEU . 32.0 mt -85.33 131.69 33.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.554 HG12 HG13 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -131.51 119.19 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.632 HG22 ' CG2' ' A' ' 8' ' ' VAL . 62.3 t -100.47 124.22 53.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.884 HD11 HG21 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -105.27 141.59 20.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.35 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 1.004 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.4 t-160 -147.15 -172.92 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.595 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.772 ' OD2' HG21 ' A' ' 137' ' ' ILE . 4.6 t70 -111.48 144.45 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 137' ' ' ILE . 1.0 OUTLIER -152.09 169.13 23.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.505 HD13 ' CZ ' ' A' ' 139' ' ' ARG . 1.3 pp -105.91 116.03 31.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' OD1' HD12 ' A' ' 99' ' ' LEU . 8.2 t0 -110.22 -83.36 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.426 1.079 . . . . 0.0 109.238 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.501 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -129.38 -91.52 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.74 172.88 8.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -92.0 77.18 5.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.83 40.55 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.786 ' O ' HG23 ' A' ' 135' ' ' ILE . 6.4 tpp85 -131.15 161.29 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.526 0.78 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.89 ' CG2' HD11 ' A' ' 165' ' ' ILE . 1.5 pp -123.85 165.29 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.63 101.02 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.786 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.72 138.89 39.02 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -148.22 177.77 9.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -113.71 -82.1 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.529 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -121.31 39.13 2.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 109' ' ' GLY . . . -49.02 -101.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -131.14 -115.77 1.75 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -163.73 86.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 0.733 . . . . 0.0 110.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.47 ' N ' HD12 ' A' ' 118' ' ' LEU . . . -90.49 80.08 1.41 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.471 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . 151.06 -61.09 0.41 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.582 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.0 OUTLIER 83.96 -38.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 0.762 . . . . 0.0 109.588 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -52.66 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.824 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -73.27 -27.52 67.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.907 ' O ' HG23 ' A' ' 122' ' ' VAL . 2.2 mt -64.09 -60.04 3.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.542 0.789 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.582 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.1 ttp85 -64.1 -36.15 83.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 m -59.99 -38.34 82.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.842 HG22 ' HA2' ' A' ' 73' ' ' GLY . 76.6 t -73.89 -39.05 51.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 118' ' ' LEU . 9.3 t -72.93 -28.95 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . . . -75.93 -36.97 59.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.34 -48.39 15.7 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.631 HD12 HG13 ' A' ' 121' ' ' VAL . 5.0 mt -78.96 -21.97 46.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.648 ' O ' HG22 ' A' ' 127' ' ' THR . . . 73.72 1.73 59.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 81.11 130.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 0.744 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.577 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.7 mmtt -159.07 21.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.72 ' O ' HD11 ' A' ' 108' ' ' ILE . 2.1 t70 89.63 22.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.87 ' CE2' HG22 ' A' ' 122' ' ' VAL . 1.6 p90 -47.76 169.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.536 ' OE1' HG22 ' A' ' 91' ' ' ILE . 71.5 mt-30 -112.77 155.47 24.52 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.454 ' NE ' ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -141.58 149.34 40.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.336 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 8.2 t -140.0 85.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.0 mpp_? -92.8 143.97 25.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 110.251 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.004 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.4 mp -100.32 149.65 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 98' ' ' ASP . . . -103.71 105.06 2.58 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.569 1.168 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 1.0 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -106.67 104.5 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 0.749 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.501 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . -52.38 -173.83 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.505 ' CZ ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER 177.93 157.32 0.54 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.579 0.811 . . . . 0.0 110.316 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.583 ' HG2' ' CD1' ' A' ' 149' ' ' PHE . 18.3 Cg_endo -75.05 116.46 4.58 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.563 1.823 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 115.31 4.24 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.586 ' O ' ' CB ' ' A' ' 143' ' ' ARG . . . -134.14 -37.12 0.23 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.586 ' CB ' ' O ' ' A' ' 142' ' ' GLY . 2.3 ttt85 91.4 -3.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 0.792 . . . . 0.0 110.365 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.577 ' HD2' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER -75.95 -59.09 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.943 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -149.31 101.5 3.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.413 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.96 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.609 ' O ' HD12 ' A' ' 151' ' ' LEU . . . -62.92 -43.23 99.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.943 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -63.36 -40.97 98.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.583 ' CD1' ' HG2' ' A' ' 140' ' ' PRO . 0.3 OUTLIER -72.6 -23.66 60.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 1.0 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -78.21 -33.82 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.427 1.079 . . . . 0.0 109.266 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 147' ' ' ALA . 1.2 mt -100.59 49.96 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 11.5 mt-10 -60.31 -102.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.566 ' C ' ' H ' ' A' ' 155' ' ' THR . 18.7 t-20 159.83 47.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.701 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.9 OUTLIER -71.48 27.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.637 HG23 ' HG2' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -22.68 -52.12 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.404 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.701 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.97 -70.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' A' ' 161' ' ' GLU . . . -46.49 -41.76 14.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.703 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -74.67 -30.08 61.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.4 OUTLIER -58.92 -46.05 88.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.726 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.94 -34.48 57.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.898 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.9 mm-40 -76.01 -37.64 58.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.703 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -52.29 -50.79 77.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -28.57 8.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.512 1.796 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.544 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 11.1 m -61.51 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.369 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.907 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -69.09 -50.25 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.242 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.907 ' N ' HD13 ' A' ' 165' ' ' ILE . 36.0 m -47.01 -47.04 22.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 108.34 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -62.13 -44.65 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.276 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -65.23 -49.29 70.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.875 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -67.06 -35.87 80.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -59.51 -41.93 91.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -67.39 -44.26 79.31 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.035 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.15 -43.77 87.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.4 m -60.61 -51.59 68.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -60.71 -46.21 91.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.521 ' HA ' ' HB2' ' A' ' 178' ' ' GLU . 0.2 OUTLIER -66.23 -42.12 89.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.8 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.8 tt -54.73 -40.9 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.566 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 42.9 mt -75.47 -29.32 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.521 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -59.04 -63.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -125.51 -71.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -154.4 -179.95 30.08 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.46 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.8 ptt? -89.21 -17.66 28.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.555 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -47.91 -48.25 62.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.97 -38.88 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.489 1.783 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.577 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.05 -36.62 84.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.621 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.33 -41.07 66.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.796 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 3.4 m-20 -78.2 -21.49 49.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -95.12 -52.4 4.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.035 HG21 ' HB2' ' A' ' 172' ' ' ALA . 35.2 t -89.05 -57.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.621 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 23.5 t-80 -67.23 22.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.564 1.165 . . . . 0.0 109.586 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.796 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -104.43 -34.98 8.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.599 1.187 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.71 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 108.028 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.48 0.181 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.15 137.35 19.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -174.84 80.21 0.33 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.324 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.0 -174.31 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -137.37 140.39 41.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.366 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -125.2 136.24 53.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.004 HG13 ' CG1' ' A' ' 91' ' ' ILE . 1.9 t -127.8 139.81 50.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.241 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.906 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -131.06 120.19 46.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.501 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.92 114.87 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.465 1.103 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.693 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -102.63 114.71 29.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 0.807 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -127.17 -154.27 8.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' HIS . 0.6 OUTLIER -133.38 119.3 15.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.443 0.731 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 17.9 Cg_endo -75.08 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.982 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.691 ' O ' ' HB2' ' A' ' 18' ' ' ALA . . . 82.54 -154.36 32.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.464 1.103 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.732 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -118.2 -85.15 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -49.58 -54.84 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.301 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.71 -13.49 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.732 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -51.22 -39.37 56.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' O ' ' N ' ' A' ' 21' ' ' ARG . 22.0 mmt-85 -85.67 -99.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.974 ' HB ' HD23 ' A' ' 151' ' ' LEU . 11.1 p 44.85 13.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' N ' ' O ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 71.98 -10.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 12' ' ' ASN . 25.4 m80 -73.45 16.08 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.638 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 21' ' ' ARG . 10.9 t-20 -109.94 3.39 20.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.994 HD12 HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -39.2 -63.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -31.66 -60.31 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.426 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 33.4 t80 -75.02 -33.73 61.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 0.725 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -61.9 -45.82 97.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.994 HG23 HD12 ' A' ' 24' ' ' LEU . 13.3 t -69.81 -52.36 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.63 ' HB3' ' HZ1' ' A' ' 64' ' ' LYS . . . -56.67 -45.79 81.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.52 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 18.1 t0 -59.68 -42.4 92.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.77 -62.83 1.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.0 mt -57.93 -48.99 78.28 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -60.7 -25.23 66.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -81.14 -27.83 35.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -86.06 -41.8 14.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.11 -22.61 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.12 -26.21 18.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.77 144.61 54.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.564 0.802 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -139.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.689 ' CZ ' HD12 ' A' ' 62' ' ' LEU . 4.1 m-85 -154.15 149.2 26.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -119.35 179.01 4.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.36 116.29 9.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 0.2 OUTLIER 178.68 -150.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.657 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 84.43 157.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -40.11 78.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.592 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -68.01 -21.23 65.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.947 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.43 87.41 0.04 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.761 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -166.6 179.6 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 0.804 . . . . 0.0 109.258 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -88.14 149.78 23.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 110.352 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.615 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 2.8 p -176.93 161.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 109.344 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -158.77 144.77 16.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.06 126.56 36.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.412 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.14 -159.92 10.08 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.429 1.08 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.558 ' O ' ' CB ' ' A' ' 55' ' ' SER . 4.0 mtp180 -156.33 164.98 37.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 1.1 m 154.31 -175.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.574 1.171 . . . . 0.0 110.014 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.776 ' HA ' HG23 ' A' ' 177' ' ' ILE . . . 38.17 30.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.064 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 63.36 52.27 48.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.568 1.167 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 172.01 160.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.767 . . . . 0.0 110.272 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.428 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.1 p -62.92 173.35 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -155.66 125.45 6.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.2 t -108.32 107.95 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.778 HD11 ' HZ3' ' A' ' 64' ' ' LYS . 3.0 tm? -103.6 109.08 20.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.535 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -119.64 170.3 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.778 ' HZ3' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 177.35 120.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.266 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.775 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.1 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.481 1.779 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 33.2 mmt180 -85.02 -82.37 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.242 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.18 -21.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 59.79 -81.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.693 ' HA ' HD13 ' A' ' 10' ' ' LEU . 52.3 ttm -25.18 -89.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' N ' ' HG2' ' A' ' 69' ' ' MET . 7.0 m120 -72.22 -37.83 69.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HA ' ' NE ' ' A' ' 74' ' ' ARG . 7.3 tt0 -58.49 -31.25 67.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.901 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.4 t -79.39 -57.84 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.94 -50.38 7.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.971 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.59 -46.75 45.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 0.733 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.561 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.5 tt0 -43.17 -51.89 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.236 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.776 ' O ' ' N ' ' A' ' 80' ' ' ALA . 55.2 mt -67.67 -46.39 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.56 -68.88 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.971 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.97 -46.24 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.548 1.815 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.592 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.53 -40.99 65.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.776 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.68 -50.07 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -18.02 61.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.702 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -74.18 -45.08 50.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -86.34 -15.02 41.81 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.7 p 54.96 50.95 14.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 110.035 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.589 HG22 ' OD1' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -97.99 161.57 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' A' ' 89' ' ' ASN . . . -83.87 155.29 64.73 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.668 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -5.25 16.57 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.07 -15.23 58.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.381 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.589 ' OD1' HG22 ' A' ' 85' ' ' VAL . 0.5 OUTLIER -109.21 -14.28 14.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 96.5 mt -87.43 124.79 41.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.004 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -138.5 116.98 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.906 HG22 ' CG2' ' A' ' 8' ' ' VAL . 4.5 t -107.4 132.54 54.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.766 HD11 HD11 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -112.77 143.64 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.794 ' O ' HD12 ' A' ' 135' ' ' ILE . 12.1 t-160 -149.61 168.73 22.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.583 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.57 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -100.32 144.22 29.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.312 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' CG ' ' CE1' ' A' ' 115' ' ' HIS . 3.5 t0 -150.91 167.55 27.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.35 104.95 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -98.25 -81.02 0.45 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.23 -72.17 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.399 1.062 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 138' ' ' GLY . 13.3 tt0 -85.87 163.15 18.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.542 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -93.79 43.46 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.44 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -175.88 52.54 0.12 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.829 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.5 mmm-85 -133.95 156.67 47.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.342 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 165' ' ' ILE . 1.6 pp -118.15 161.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.25 105.32 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.265 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.845 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.6 129.91 53.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.614 1.196 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -151.54 -179.43 7.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.756 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -134.59 -84.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.575 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.11 -68.91 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -67.42 123.1 19.57 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 154.04 171.02 20.64 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 64.86 152.16 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 0.792 . . . . 0.0 110.29 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 147.34 -63.28 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -94.52 -49.42 2.36 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.475 ' CE1' ' CG ' ' A' ' 96' ' ' ASP . 18.5 m170 -42.92 127.19 4.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 0.727 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -65.39 -47.3 76.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.28 -57.25 20.8 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.567 1.167 . . . . 0.0 111.048 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.403 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 10.8 mt -53.31 -42.69 66.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 0.753 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.491 ' O ' HG12 ' A' ' 122' ' ' VAL . 4.6 ttm180 -59.78 -38.02 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.1 t -71.67 -30.01 65.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.033 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 1.077 HG13 HD12 ' A' ' 125' ' ' LEU . 2.3 t -69.59 -44.67 79.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.606 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.89 -37.61 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.348 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.74 -37.31 65.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -78.64 -50.44 11.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.077 HD12 HG13 ' A' ' 121' ' ' VAL . 20.0 mt -77.72 -21.67 51.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.606 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 75.24 1.39 63.99 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.493 ' OG1' ' CG2' ' A' ' 122' ' ' VAL . 0.4 OUTLIER 77.42 118.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 56.6 mmtt -141.02 8.53 2.08 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.756 ' O ' HD11 ' A' ' 108' ' ' ILE . 3.0 m-20 92.97 20.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.757 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 54.8 m-85 -54.84 150.46 9.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.428 ' C ' ' HG2' ' A' ' 132' ' ' ARG . 15.5 mt-30 -84.35 157.31 21.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.439 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 9.1 mtt180 -141.84 150.83 42.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.251 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.642 ' O ' HG12 ' A' ' 133' ' ' VAL . 3.8 t -137.48 84.91 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.548 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.2 mtp180 -87.99 144.15 26.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.829 HG23 ' O ' ' A' ' 103' ' ' ARG . 4.9 mp -98.77 148.42 6.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -109.73 96.18 0.93 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.611 1.194 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.542 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -114.08 62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.517 0.775 . . . . 0.0 109.4 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . -57.95 -160.77 0.03 OUTLIER Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.597 ' HD2' HG23 ' A' ' 150' ' ' VAL . 0.0 OUTLIER -175.89 157.13 1.74 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.53 0.782 . . . . 0.0 110.235 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.545 1.813 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 144' ' ' LYS . . . 144.08 44.64 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 142' ' ' GLY . 1.3 tpt180 37.8 31.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 0.746 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 142' ' ' GLY . 0.1 OUTLIER -102.64 -60.87 1.47 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.904 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.6 OUTLIER 172.0 95.65 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.566 1.824 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.462 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -58.14 -41.88 84.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -61.18 -43.94 98.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.455 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.3 OUTLIER -68.34 -25.71 65.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.597 HG23 ' HD2' ' A' ' 139' ' ' ARG . 0.4 OUTLIER -77.8 -30.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.974 HD23 ' HB ' ' A' ' 20' ' ' THR . 1.2 mt -111.16 34.85 3.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 1.2 mm-40 -68.4 -96.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.632 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.7 t-20 157.48 51.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.817 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -67.17 27.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.632 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.13 -51.87 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.716 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.817 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.15 -41.39 17.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.394 1.059 . . . . 0.0 109.355 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.585 ' O ' ' N ' ' A' ' 162' ' ' VAL . 13.9 mt-10 -73.42 -32.26 64.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.033 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.62 -42.26 87.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.711 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.31 -34.45 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 1.024 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.4 mm-40 -74.71 -36.51 62.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.585 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.0 OUTLIER -55.42 -51.93 75.89 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.033 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.97 -25.36 12.0 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.1 m -65.07 -61.63 2.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.424 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.024 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -65.9 -54.5 26.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.246 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.733 ' N ' HD13 ' A' ' 165' ' ' ILE . 76.8 m -46.01 -44.8 15.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.077 . . . . 0.0 108.325 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -59.48 -45.19 92.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.591 ' HG3' ' N ' ' A' ' 169' ' ' ALA . 1.7 pt20 -66.34 -41.89 88.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 110.313 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.667 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.62 -37.82 80.05 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -63.38 -37.48 87.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.236 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.9 m-20 -67.25 -45.02 77.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.083 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.78 -41.4 82.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.7 m -65.02 -51.87 59.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.524 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -55.93 -48.62 75.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.063 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.524 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -62.53 -38.6 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.3 tt -54.51 -46.35 73.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.776 HG23 ' HA ' ' A' ' 56' ' ' ALA . 8.8 mt -67.83 -34.18 65.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.277 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.37 -48.13 77.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -144.88 -71.03 0.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.459 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -157.67 177.03 34.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 21.1 ptp -86.45 -19.15 30.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 0.731 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.514 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.4 mt-10 -40.96 -50.72 7.6 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.425 1.078 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.537 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.95 -38.04 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.51 1.795 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.619 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.51 -39.81 94.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.552 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -71.65 -39.91 70.04 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.448 1.092 . . . . 0.0 110.257 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.963 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 53.7 t30 -78.78 -22.01 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.537 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.81 -53.67 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.083 HG21 ' HB2' ' A' ' 172' ' ' ALA . 40.5 t -87.02 -58.02 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -70.43 22.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.594 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.963 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -89.18 -49.97 6.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.592 ' CZ2' ' HG2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.017 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 tpp . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.527 0.204 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.25 -64.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.11 92.36 0.27 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.451 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.05 130.73 13.48 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.511 1.795 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.437 HD11 ' NE ' ' A' ' 58' ' ' ARG . 0.9 OUTLIER -133.87 141.37 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -109.17 145.8 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.961 HG12 ' CG1' ' A' ' 91' ' ' ILE . 15.8 m -131.77 139.26 50.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -127.84 124.88 63.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -91.74 110.18 3.83 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.151 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.844 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -93.29 99.22 11.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.469 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.61 -147.1 8.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.554 1.159 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.569 ' ND2' ' CG ' ' A' ' 22' ' ' HIS . 3.0 m-20 -136.03 120.37 12.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.01 114.78 4.1 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.427 1.751 . . . . 0.0 111.06 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 55.12 -154.99 9.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 111.059 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 71.29 134.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 0.776 . . . . 0.0 109.285 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -65.07 -11.95 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.795 ' CD1' HD22 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -70.26 -17.69 63.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.04 70.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -49.95 -30.42 10.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -78.42 28.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.758 ' NH1' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER 63.59 15.58 8.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.7 ' CE1' HD21 ' A' ' 151' ' ' LEU . 1.9 t-160 -66.07 8.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.4 t-20 -129.76 38.17 3.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.354 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.769 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.1 OUTLIER -59.93 -42.91 94.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.248 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.34 -55.59 21.4 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.535 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 15.4 t80 -78.4 -22.92 47.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.758 HG21 ' NH1' ' A' ' 21' ' ' ARG . 7.0 t -74.9 -38.51 43.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.543 HG11 HD12 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -76.85 -42.35 32.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.06 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.79 -44.96 91.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.223 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.4 t70 -67.56 -37.65 82.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -54.63 -56.96 13.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mt -57.39 -48.03 80.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.779 ' O ' ' HB2' ' A' ' 38' ' ' ALA . . . -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -70.87 -41.15 71.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -80.06 -43.24 22.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -72.06 -166.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.587 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.76 -16.56 70.14 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.779 ' HB2' ' O ' ' A' ' 33' ' ' ALA . . . 39.07 101.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -142.69 31.03 1.47 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HA ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -82.53 -163.47 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 111.055 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -151.07 -166.63 2.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.389 1.056 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -173.0 144.26 1.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ALA . 16.9 t-80 -143.24 177.28 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.554 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -85.87 -165.55 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' LYS . 14.0 ttt85 36.22 -143.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.486 ' C ' HD11 ' A' ' 79' ' ' LEU . 40.7 p -70.5 53.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 1.164 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -130.67 -66.86 0.1 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.624 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 47.39 -173.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.771 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.8 mt-10 -73.6 142.96 46.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.24 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 33.3 m -153.95 120.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.624 ' HA ' ' HB2' ' A' ' 40' ' ' PHE . . . -119.55 110.08 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.75 125.02 27.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 110.415 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.42 120.41 3.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.479 1.112 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.66 118.45 11.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.738 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' GLY . 82.8 p -179.11 -172.45 0.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.062 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.33 31.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 59.35 57.03 21.82 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.473 ' HB2' ' CG2' ' A' ' 177' ' ' ILE . 0.0 OUTLIER -174.5 156.08 2.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.91 168.05 9.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.688 ' O ' HD12 ' A' ' 60' ' ' LEU . 3.5 pp -171.39 111.47 0.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.598 HG11 HD11 ' A' ' 6' ' ' LEU . 7.1 t -103.92 99.61 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.06 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.4 tm? -89.43 110.05 20.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' A' ' 8' ' ' VAL . . . -127.52 171.06 11.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HG2' ' HB2' ' A' ' 49' ' ' GLU . 0.1 OUTLIER 177.99 123.55 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.624 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.98 -153.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.431 1.753 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 26.5 mmt85 -81.36 -84.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.397 1.061 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.704 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.08 -17.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 108.233 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.664 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.629 ' CA ' HD13 ' A' ' 10' ' ' LEU . 18.8 ttm -37.89 -94.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.6 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 6.7 t-20 -60.85 -38.84 86.91 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.704 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 1.6 tp10 -52.64 -45.35 66.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.664 ' N ' ' O ' ' A' ' 68' ' ' TYR . 46.2 t -65.4 -47.09 77.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.933 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.737 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.83 -51.73 8.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.987 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.95 -54.89 5.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.59 ' O ' ' CG ' ' A' ' 79' ' ' LEU . 10.3 mm-40 -42.66 -48.66 5.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.73 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.4 mm -67.25 -43.95 87.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.09 -69.49 0.15 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.571 1.17 . . . . 0.0 111.064 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.987 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -46.89 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.97 -40.01 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.809 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.12 -50.46 54.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.93 -15.95 61.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.3 t80 -75.67 -44.17 43.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -79.97 2.75 22.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.3 m 51.77 46.5 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.973 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 86' ' ' ALA . 27.4 t -118.37 155.43 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.407 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -84.06 158.14 61.92 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.229 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.55 ' HB2' ' HB3' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.09 -22.26 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.42 -8.14 3.77 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.629 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.7 m-20 -106.13 -19.49 13.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 34.3 mt -86.87 134.16 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.961 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -133.55 120.13 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 2.5 p -102.24 123.47 55.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.543 HD12 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -101.77 140.36 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 1.055 ' O ' HD12 ' A' ' 135' ' ' ILE . 7.6 t-160 -145.4 176.67 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.469 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -108.57 142.13 39.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.733 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -157.0 165.18 36.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.088 HD22 HG23 ' A' ' 150' ' ' VAL . 2.5 pt? -104.97 116.11 31.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.589 ' N ' ' O ' ' A' ' 138' ' ' GLY . 36.4 m-20 -102.13 -80.86 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 138' ' ' GLY . 24.2 mt -129.13 -79.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 138' ' ' GLY . 37.7 mp0 -90.29 168.56 11.81 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.24 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.588 ' CE1' HG12 ' A' ' 137' ' ' ILE . 6.2 m-85 -92.39 85.39 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.34 46.8 0.03 OUTLIER Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 135' ' ' ILE . 1.6 tmm_? -133.59 154.49 50.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 110.299 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.886 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.4 pp -118.84 154.49 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 134' ' ' ARG . 17.5 ttt180 -137.49 104.51 5.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.363 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.91 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.38 125.67 51.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.073 . . . . 0.0 109.344 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.5 ttmt -141.95 161.98 36.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -108.03 -54.66 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.523 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -83.24 -44.84 6.82 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 36.38 -127.46 0.98 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.4 89.13 0.1 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -39.53 -47.83 1.94 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 0.759 . . . . 0.0 110.298 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.01 109.89 0.21 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.116 . . . . 0.0 111.048 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 105.25 61.81 0.64 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.451 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER 172.85 121.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 0.729 . . . . 0.0 109.601 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 120' ' ' SER . 7.2 m120 -72.88 -41.92 64.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.715 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -66.52 -55.13 19.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.389 1.055 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 122' ' ' VAL . 15.7 mt -57.08 -52.59 64.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 0.76 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -59.99 -35.09 74.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.8 m -70.86 -30.78 67.28 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.968 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.737 HG22 ' HA2' ' A' ' 73' ' ' GLY . 53.6 t -71.63 -41.98 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 127' ' ' THR . 11.5 t -73.62 -29.54 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.54 -36.61 63.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.358 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -76.63 -46.68 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.809 HD21 ' CB ' ' A' ' 80' ' ' ALA . 6.3 mt -78.87 -22.33 46.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.7 4.5 61.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.723 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.9 t -138.28 161.18 37.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 0.748 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.602 ' HD3' ' C ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -121.55 21.98 10.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -72.9 -3.31 24.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.607 ' CE2' ' HG3' ' A' ' 132' ' ' ARG . 2.3 p90 -82.0 176.53 9.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.465 ' HG2' ' HB ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -124.93 165.36 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.272 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.607 ' HG3' ' CE2' ' A' ' 130' ' ' PHE . 0.0 OUTLIER -142.5 150.44 40.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.638 HG22 ' HB2' ' A' ' 106' ' ' LEU . 11.5 t -124.29 85.37 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.2 mtp180 -86.96 144.62 26.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.055 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -98.54 148.93 5.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 109.356 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.5 ' HA3' ' HB2' ' A' ' 98' ' ' ASP . . . -112.84 96.65 0.83 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.733 ' N ' ' O ' ' A' ' 96' ' ' ASP . 0.1 OUTLIER -107.86 101.7 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.752 . . . . 0.0 109.336 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . 83.39 171.81 48.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.76 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -50.16 169.71 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.256 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.603 ' HD2' ' HB2' ' A' ' 139' ' ' ARG . 18.1 Cg_endo -75.08 160.66 39.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.81 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.478 ' CA ' ' HB3' ' A' ' 146' ' ' PRO . 18.2 Cg_endo -74.98 127.57 10.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.568 1.825 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.441 ' N ' ' HB3' ' A' ' 146' ' ' PRO . . . 146.4 67.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.54 ' O ' ' C ' ' A' ' 144' ' ' LYS . 0.2 OUTLIER -170.9 -153.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 0.738 . . . . 0.0 110.286 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.54 ' C ' ' O ' ' A' ' 143' ' ' ARG . 1.5 ptmt -28.54 -50.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.932 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 0.1 OUTLIER -170.7 108.6 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.478 ' HB3' ' CA ' ' A' ' 141' ' ' PRO . 18.0 Cg_endo -75.06 -55.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.497 1.788 . . . . 0.0 110.999 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.473 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -57.36 -38.49 74.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.932 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -67.12 -42.25 84.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -75.31 -19.89 59.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 1.147 . . . . 0.0 111.032 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 1.088 HG23 HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -79.52 -37.43 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.249 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.795 HD22 ' CD1' ' A' ' 17' ' ' TYR . 2.8 mt -106.73 51.68 0.74 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.4 mt-10 -66.27 -104.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.573 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 16.7 t30 150.78 46.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.817 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -72.21 28.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.598 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -20.47 -53.06 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.691 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -71.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.817 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -40.44 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.747 ' O ' ' N ' ' A' ' 162' ' ' VAL . 6.8 mt-10 -74.74 -31.01 61.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.5 OUTLIER -58.44 -45.5 88.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.721 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.65 -35.65 57.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.692 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.2 mm-40 -76.82 -36.1 57.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.172 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.747 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.1 t -52.32 -50.71 78.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.586 1.179 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -30.47 7.17 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.962 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.494 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 14.6 m -56.54 -51.91 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.599 1.187 . . . . 0.0 110.37 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.987 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -81.67 -46.03 20.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.987 ' N ' HD13 ' A' ' 165' ' ' ILE . 23.6 m -49.01 -48.59 43.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 108.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.499 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 8.6 pt-20 -68.78 -47.11 66.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.954 ' HG2' HG13 ' A' ' 188' ' ' VAL . 6.1 tt0 -60.19 -48.87 79.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.886 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -64.68 -41.52 96.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.37 -38.81 69.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 6.2 m-20 -68.4 -44.3 75.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.075 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.31 -42.11 81.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -66.07 -53.92 32.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.29 -43.3 83.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.453 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -67.35 -41.43 85.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.8 tt -52.75 -43.49 65.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 49.2 mt -77.39 -27.66 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -67.2 -31.77 72.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -155.56 -72.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -162.43 173.77 38.75 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.44 1.087 . . . . 0.0 110.979 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.426 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 0.9 OUTLIER -85.49 -24.11 27.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.48 0.753 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -39.49 -51.57 4.83 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.98 -37.79 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.588 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.53 -39.51 93.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.576 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.0 tt0 -72.49 -39.56 67.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.746 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 57.0 t30 -79.06 -20.07 49.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.225 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 183' ' ' PRO . 3.8 ttt180 -97.28 -53.21 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.075 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.1 t -87.54 -57.58 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.576 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -69.11 23.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 109.631 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.45 60.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.556 ' CD1' ' OE1' ' A' ' 168' ' ' GLN . 23.6 m-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 108.031 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.512 0.196 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.43 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . . . -138.04 113.95 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -165.96 68.16 1.13 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.543 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.97 163.44 35.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.396 1.735 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.82 164.72 12.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.568 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -106.8 144.19 33.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.842 HG13 ' CG1' ' A' ' 91' ' ' ILE . 15.0 t -125.6 143.55 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.462 HG23 ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.86 120.06 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.255 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.74 110.22 3.91 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.532 1.145 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.857 HD11 ' NE2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -97.67 115.48 28.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.343 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.566 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.33 -144.39 6.26 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.01 116.43 11.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.37 6.69 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.505 1.792 . . . . 0.0 111.044 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -67.09 -120.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 111.054 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 173.06 -87.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.283 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -46.64 -43.18 17.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.857 ' CE2' HD21 ' A' ' 151' ' ' LEU . 5.0 t80 -88.37 -19.14 27.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 111.043 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.6 -24.72 62.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 21' ' ' ARG . 6.2 tpt180 -58.18 -12.94 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 17' ' ' TYR . 48.9 p -77.24 21.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.458 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.804 ' NH1' HG22 ' A' ' 162' ' ' VAL . 1.6 mmm180 65.48 7.49 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -68.25 10.38 0.24 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 109.61 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.586 ' H ' ' C ' ' A' ' 21' ' ' ARG . 62.5 t30 -119.44 11.72 12.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.888 ' HB3' HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -40.8 -46.13 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.499 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -49.18 -58.74 7.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.464 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 2.7 t80 -79.9 -19.88 47.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 0.785 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.563 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.1 t -75.24 -42.35 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.568 HG23 ' CD1' ' A' ' 24' ' ' LEU . 1.8 t -78.84 -36.78 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.625 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.62 -44.3 94.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 26' ' ' PHE . 1.8 m-20 -68.29 -46.86 69.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' CD1' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.83 -56.42 12.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mt -54.07 -49.56 68.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.057 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -60.97 -45.04 96.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -50.69 -40.01 52.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.96 -47.54 10.9 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.04 -173.37 0.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -85.65 41.4 3.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.539 1.15 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.749 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -29.63 119.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.58 35.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.624 ' HB2' ' HA ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.1 -164.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.911 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -152.74 -165.72 2.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.98 52.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.14 109.95 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.545 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -72.53 -60.71 2.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.235 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -36.81 -45.86 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.679 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -86.01 -49.89 7.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.001 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.5 65.57 0.9 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.577 1.173 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.522 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.57 170.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -85.48 148.01 26.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.552 HG12 ' HB2' ' A' ' 63' ' ' ALA . 2.3 m -142.29 119.23 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.34 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.624 ' HA ' ' HB2' ' A' ' 40' ' ' PHE . . . -120.91 107.12 12.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 1.004 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -100.46 125.42 46.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.98 -161.93 8.97 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 0.0 111.037 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -149.19 169.82 19.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.222 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.8 OUTLIER 157.69 172.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.436 1.085 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 46.02 22.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.43 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 70.18 49.69 31.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.439 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -179.38 152.27 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.365 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.543 ' CB ' ' HB3' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -79.0 171.8 14.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.024 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -159.2 129.57 5.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.097 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.004 HG22 HG22 ' A' ' 52' ' ' THR . 32.7 t -106.63 102.03 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.625 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -101.03 113.26 26.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.552 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -127.08 175.06 8.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.25 122.39 0.21 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.697 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -74.94 -154.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.5 ' C ' ' N ' ' A' ' 68' ' ' TYR . 7.4 mmt180 -84.74 -87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -45.85 -21.44 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 108.306 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.878 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.7 m-85 62.49 -81.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.641 ' N ' HD13 ' A' ' 10' ' ' LEU . 7.8 ttm -29.18 -96.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' N ' ' HG2' ' A' ' 69' ' ' MET . 56.9 m-20 -64.57 -35.88 82.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.235 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.549 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 2.4 mt-10 -59.69 -30.23 68.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.878 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.4 t -77.26 -57.64 3.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.858 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -43.78 -50.72 7.15 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.507 1.129 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.27 -48.57 33.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.385 0.697 . . . . 0.0 110.342 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.554 ' N ' ' CD ' ' A' ' 74' ' ' ARG . 3.8 tp60 -41.55 -50.83 4.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.744 ' O ' ' N ' ' A' ' 80' ' ' ALA . 4.7 mt -68.26 -44.39 83.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.0 -67.5 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.91 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.446 1.761 . . . . 0.0 111.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.3 -40.74 64.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.372 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.744 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.69 -48.95 65.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -17.43 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.746 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.8 t80 -73.36 -45.79 52.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.541 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 27.8 m-85 -89.0 -15.85 33.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.4 p 55.27 53.07 10.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.058 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.632 HG12 ' H ' ' A' ' 86' ' ' ALA . 2.7 t -101.42 176.12 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.632 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -80.62 124.76 81.76 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.944 ' O ' HG22 ' A' ' 90' ' ' ILE . 18.5 Cg_endo -74.97 -5.46 16.83 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.41 1.12 46.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.781 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.0 m-20 -116.23 1.88 13.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.944 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -93.27 128.16 44.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.842 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -126.14 114.98 41.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.435 1.085 . . . . 0.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.462 ' HA ' HG23 ' A' ' 8' ' ' VAL . 9.0 p -103.42 124.96 57.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.536 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -108.37 148.38 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.857 ' NE2' HD11 ' A' ' 10' ' ' LEU . 9.5 t-160 -157.11 169.23 25.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.526 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 11.5 t0 -100.68 143.56 30.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 2.6 t0 -157.74 154.32 28.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.1 pt? -86.61 96.77 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 139' ' ' ARG . 64.6 t0 -89.9 -70.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.439 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -132.68 -94.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -90.5 171.57 9.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.348 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' CZ ' ' A' ' 149' ' ' PHE . 1.6 m-85 -92.52 105.26 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.627 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 126.77 39.97 0.37 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.572 1.17 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.777 ' O ' HG23 ' A' ' 135' ' ' ILE . 2.0 mmm-85 -133.04 156.82 46.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 110.251 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.786 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.8 pp -120.33 161.54 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.0 ttm180 -149.77 105.64 3.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.82 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.75 131.71 51.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 109.287 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -148.43 179.09 8.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.747 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.4 tp -120.89 -89.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.747 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -65.17 -50.29 57.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.05 76.52 0.73 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -138.53 -160.72 8.52 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 49.38 77.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 110.289 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.05 54.63 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.24 60.26 2.42 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.437 ' NE2' ' OD2' ' A' ' 96' ' ' ASP . 2.0 m-70 -130.45 118.55 21.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 109.586 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -58.39 -37.33 75.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.5 -64.89 3.39 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.708 ' O ' HG12 ' A' ' 121' ' ' VAL . 6.2 mt -53.69 -50.11 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 0.81 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.1 ttt180 -58.71 -31.1 67.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.233 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.2 m -75.19 -28.17 59.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.04 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.858 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -70.87 -43.14 77.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.388 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.694 HG23 ' CE1' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -67.6 -46.37 83.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -68.51 -38.69 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -64.63 -43.39 93.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 121' ' ' VAL . 0.5 OUTLIER -80.33 -23.59 40.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 65.16 7.88 33.64 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.97 -153.38 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 0.735 . . . . 0.0 110.417 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -173.66 35.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 11.1 m-20 -135.7 97.76 3.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CE1' HG23 ' A' ' 122' ' ' VAL . 19.1 p90 -175.72 -179.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.473 1.108 . . . . 0.0 110.956 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -127.55 164.45 21.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.518 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -144.42 150.66 38.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.621 HG22 ' HB2' ' A' ' 106' ' ' LEU . 17.5 t -121.76 89.18 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.513 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mtp85 -88.28 143.29 27.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.888 HD13 ' HB3' ' A' ' 24' ' ' LEU . 4.9 mp -102.94 147.57 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.179 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -99.71 104.66 2.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.61 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.3 pp -115.14 89.1 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.5 0.765 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 99' ' ' LEU . . . 67.63 -179.02 17.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -164.25 161.15 16.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 0.747 . . . . 0.0 110.287 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.69 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.2 Cg_endo -74.95 117.74 5.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.557 1.82 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -90.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.425 1.75 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -154.53 97.07 0.17 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.515 1.135 . . . . 0.0 110.96 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 39.04 56.4 2.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.82 -77.73 0.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.97 77.98 0.19 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.485 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.3 Cg_endo -74.96 -63.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.438 1.757 . . . . 0.0 110.951 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.68 69.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.54 92.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.502 ' CZ ' ' CD2' ' A' ' 101' ' ' PHE . 1.6 t80 -77.31 -27.25 52.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.548 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -68.98 -30.45 46.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.857 HD21 ' CE2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -81.96 9.43 8.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 109.322 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.641 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.2 tp10 -106.59 -119.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.258 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.641 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 5.5 t30 144.42 145.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.84 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -78.49 39.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.639 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -12.01 -56.28 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.741 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 17.9 Cg_endo -75.08 -82.08 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.84 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -43.94 -26.01 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.892 ' HG2' HG23 ' A' ' 162' ' ' VAL . 2.0 tt0 -77.71 -40.95 39.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.015 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.35 -42.07 86.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.588 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.06 -35.56 56.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.668 ' O ' ' N ' ' A' ' 165' ' ' ILE . 3.0 tt0 -79.06 -35.0 43.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.892 HG23 ' HG2' ' A' ' 158' ' ' GLU . 1.1 t -52.16 -54.06 45.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.015 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.0 Cg_endo -75.03 -34.93 3.43 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.801 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.449 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 17.7 m -71.9 -40.34 68.91 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.668 ' N ' ' O ' ' A' ' 161' ' ' GLU . 4.3 tp -76.06 -57.83 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.561 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 69.6 m -45.97 -48.48 16.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.18 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 4.1 tt0 -61.16 -47.79 84.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.297 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.669 ' HB3' HG13 ' A' ' 188' ' ' VAL . 3.0 mm100 -62.2 -48.57 79.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.786 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.63 -38.48 89.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.93 -45.32 74.8 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 m-20 -66.2 -44.05 85.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.903 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.72 -39.28 84.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.8 m -62.39 -51.81 66.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -55.92 -48.03 76.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.57 HD23 ' HG2' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -64.61 -34.73 78.95 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.664 HD11 ' HB3' ' A' ' 181' ' ' MET . 7.1 tp -54.65 -54.52 40.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.6 mm -72.47 -22.93 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.232 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -69.16 -72.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -114.4 -73.42 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -159.54 -159.57 9.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.664 ' HB3' HD11 ' A' ' 176' ' ' LEU . 1.0 OUTLIER -105.59 -20.37 13.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 0.785 . . . . 0.0 110.933 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.564 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -47.81 -48.14 61.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.293 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.57 ' HG2' HD23 ' A' ' 175' ' ' LEU . 18.3 Cg_endo -75.07 -38.57 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.621 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.69 -40.33 92.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.562 ' O ' ' C ' ' A' ' 189' ' ' HIS . 1.8 tt0 -69.9 -39.57 76.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.976 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.9 t-20 -79.9 -22.23 43.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.485 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.9 ttt180 -93.37 -53.81 3.93 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.903 HG21 ' HB2' ' A' ' 172' ' ' ALA . 79.2 t -88.47 -57.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.562 ' C ' ' O ' ' A' ' 185' ' ' GLN . 41.2 t-80 -70.83 14.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.629 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.976 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -68.1 -32.92 73.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 191' ' ' TRP . 5.1 p-90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.601 1.188 . . . . 0.0 107.975 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtp . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.515 0.197 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.73 88.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 177.49 95.18 0.13 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.077 . . . . 0.0 110.27 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 155.22 42.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -129.61 137.98 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.784 HD22 HG12 ' A' ' 90' ' ' ILE . 0.4 OUTLIER -107.34 145.83 32.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.387 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.889 HG12 HG12 ' A' ' 91' ' ' ILE . 10.0 m -135.66 140.62 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.098 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.805 HG23 HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -130.88 125.18 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -90.71 107.92 3.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.9 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -88.05 94.95 9.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 0.781 . . . . 0.0 109.364 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.4 -151.11 9.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -134.49 126.55 18.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.782 . . . . 0.0 109.373 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.03 -0.19 9.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.74 -150.37 0.21 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.563 1.164 . . . . 0.0 111.055 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.96 -78.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 0.796 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -48.92 -35.78 15.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.601 ' HE1' HD13 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -94.27 -19.29 20.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.986 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.55 64.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -46.5 -24.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 152' ' ' GLU . 12.1 p -77.11 30.59 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.145 . . . . 0.0 110.423 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.611 ' C ' ' H ' ' A' ' 23' ' ' ASN . 2.2 mtt180 63.55 10.46 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.471 ' ND1' ' CD2' ' A' ' 151' ' ' LEU . 0.9 OUTLIER -64.54 7.94 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.611 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.3 t-20 -122.92 19.6 10.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.742 HD13 HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -37.58 -47.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.219 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.518 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -52.09 -58.31 10.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 8.9 t80 -77.23 -20.83 54.69 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.587 ' N ' ' O ' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -75.0 -42.06 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.742 HG23 HD13 ' A' ' 24' ' ' LEU . 4.0 t -73.39 -48.54 41.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.37 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.965 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.21 -45.42 79.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -61.08 -48.95 79.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.599 1.187 . . . . 0.0 109.329 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -49.87 -59.88 3.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.1 mt -51.75 -50.13 61.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 38' ' ' ALA . . . -61.08 -44.72 96.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.566 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -49.49 -40.13 36.25 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.04 -52.89 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.87 -174.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.074 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.536 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . -86.31 41.06 3.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.796 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . . . -28.74 106.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.41 75.0 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.985 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -141.0 -156.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -157.21 -164.28 1.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.79 125.46 45.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -59.62 110.27 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.562 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.2 tttt -68.77 -63.79 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -40.16 -39.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.565 ' OG ' HD11 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -82.57 -50.69 8.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.47 54.49 1.24 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' HB2' ' OE1' ' A' ' 75' ' ' GLN . . . -167.96 165.82 13.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 0.795 . . . . 0.0 109.26 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.7 mt-10 -80.1 144.66 32.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.589 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 3.8 m -141.41 113.68 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.985 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -116.02 111.47 20.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.33 125.94 30.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.43 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -129.47 125.65 4.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -140.91 96.15 2.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 0.733 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -166.76 -160.68 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.947 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.623 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 43.14 27.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.482 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . 63.18 43.87 97.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.57 1.168 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.482 ' NH1' ' O ' ' A' ' 57' ' ' GLY . 0.0 OUTLIER 178.41 151.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 110.313 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.684 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -80.79 179.35 7.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.684 HD23 ' C ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -178.02 112.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.629 HG11 HD11 ' A' ' 6' ' ' LEU . 55.8 t -101.99 103.68 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.965 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tm? -97.42 110.35 22.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -128.7 171.38 12.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -179.16 123.47 0.24 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.652 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.09 -156.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.498 ' C ' ' N ' ' A' ' 68' ' ' TYR . 25.0 mmt180 -82.21 -84.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.675 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.02 -17.85 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 108.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.7 m-85 60.95 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.9 ' HA ' HD13 ' A' ' 10' ' ' LEU . 31.1 ttm -38.42 -96.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 69' ' ' MET . 43.8 m-20 -59.87 -34.55 73.28 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.675 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.8 OUTLIER -56.87 -45.17 82.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.7 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -65.02 -55.27 19.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.013 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.885 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -41.2 -53.75 3.95 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.446 1.091 . . . . 0.0 110.971 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.998 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.19 -46.87 21.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.578 0.811 . . . . 0.0 110.296 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.709 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.9 mm-40 -49.24 -47.5 46.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.813 HG21 HD11 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -67.37 -48.45 77.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.386 1.054 . . . . 0.0 109.245 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.01 -65.81 0.1 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.1 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.998 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.04 -46.8 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' OG ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.93 -50.76 54.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -16.13 61.26 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.7 t80 -75.3 -44.76 43.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.9 m-85 -81.36 4.01 22.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.6 t 50.62 45.03 27.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.0 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.507 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 22.2 t -120.92 151.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.132 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.47 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.55 155.67 68.6 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HA ' ' HB ' ' A' ' 90' ' ' ILE . 18.6 Cg_endo -75.0 -9.91 20.99 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -17.39 55.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.682 ' O ' ' N ' ' A' ' 6' ' ' LEU . 2.2 p30 -107.09 -19.47 13.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.784 HG12 HD22 ' A' ' 6' ' ' LEU . 14.6 mt -87.04 130.89 36.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.889 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -133.19 142.45 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.805 HG22 HG23 ' A' ' 8' ' ' VAL . 46.2 t -119.59 123.72 71.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.34 141.74 19.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.923 ' O ' HD12 ' A' ' 135' ' ' ILE . 9.0 t-160 -148.95 -179.92 7.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.555 1.16 . . . . 0.0 109.59 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.486 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -109.28 144.17 37.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.489 ' N ' HD11 ' A' ' 137' ' ' ILE . 5.8 t0 -149.59 170.97 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -103.23 114.34 28.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.48 -85.44 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 139' ' ' ARG . 3.7 mt -137.42 -62.26 0.62 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.6 mt-10 -89.53 164.55 14.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.566 1.166 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.531 ' CE1' ' OE2' ' A' ' 158' ' ' GLU . 0.2 OUTLIER -92.38 14.27 17.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.49 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -151.43 59.88 0.42 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.874 ' O ' HG23 ' A' ' 135' ' ' ILE . 76.5 mmt-85 -136.12 157.98 45.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.975 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.1 pp -122.19 161.53 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 134' ' ' ARG . 7.5 ttt180 -147.85 108.19 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.824 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.9 140.94 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -155.96 173.02 17.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.702 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.7 OUTLIER -102.97 -104.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.702 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -50.28 -41.47 39.66 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 45.05 -92.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 109' ' ' GLY . . . 131.21 42.16 0.2 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.804 ' CD ' HG21 ' A' ' 122' ' ' VAL . 1.9 mp0 39.45 91.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -36.8 -61.99 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . 173.87 78.28 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.831 ' HB2' HD12 ' A' ' 118' ' ' LEU . 58.3 m80 -157.16 135.92 11.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.77 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 120' ' ' SER . 0.5 OUTLIER -62.29 -24.22 67.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.356 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.511 ' CA ' ' HG2' ' A' ' 69' ' ' MET . . . -66.31 -64.75 3.17 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.47 1.107 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.831 HD12 ' HB2' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -54.54 -49.79 69.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.788 . . . . 0.0 109.295 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -33.93 72.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 7.8 t -69.84 -29.54 66.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.885 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.64 -41.83 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.804 HG21 ' CD ' ' A' ' 112' ' ' GLU . 26.0 t -65.18 -39.55 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.01 -40.34 71.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.378 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -72.19 -39.54 68.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.813 HD11 HG21 ' A' ' 76' ' ' ILE . 5.8 mt -79.89 -22.19 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.01 6.48 73.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 71.86 133.97 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 110.347 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.1 tmtt? 176.21 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.6 m-20 82.1 102.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.584 ' CD1' ' N ' ' A' ' 130' ' ' PHE . 0.2 OUTLIER -135.77 160.29 39.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.695 ' HB2' HG22 ' A' ' 91' ' ' ILE . 83.3 mt-30 -111.74 154.1 25.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.448 ' HG2' ' C ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -142.01 148.8 39.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.263 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.651 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.9 t -140.86 85.76 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.4 OUTLIER -91.3 145.33 24.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.923 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.9 mp -97.28 149.94 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -106.82 98.39 1.32 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -115.83 65.97 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 100' ' ' GLU . . . -76.23 -108.77 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.448 1.092 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.733 ' N ' ' HD3' ' A' ' 140' ' ' PRO . 0.0 OUTLIER 64.13 46.06 0.61 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.454 0.737 . . . . 0.0 110.328 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.733 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.2 Cg_endo -74.91 148.08 35.22 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.537 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.1 Cg_endo -75.04 -35.63 3.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -177.11 -84.94 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -159.29 20.91 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.482 ' HG3' ' H ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -71.03 -55.31 8.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.621 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 5.3 m-20 -167.82 98.98 0.59 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -42.7 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.74 66.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.268 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.621 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -55.45 -39.33 70.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.581 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 0.2 OUTLIER -73.9 -34.8 64.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -61.14 -36.05 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 109.247 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.601 HD13 ' HE1' ' A' ' 17' ' ' TYR . 39.3 mt -101.25 36.56 1.97 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' ' 149' ' ' PHE . 0.8 OUTLIER -68.32 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.566 1.167 . . . . 0.0 110.299 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.613 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.9 t30 159.41 48.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.831 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -68.45 28.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.97 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.613 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.95 -51.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.455 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.719 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.0 Cg_endo -74.98 -72.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.515 1.798 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.831 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.76 -42.16 11.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.238 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.1 mt-10 -74.5 -30.03 61.65 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.971 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.21 -46.16 83.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.755 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.75 -33.97 52.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 1.05 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.4 tp10 -75.96 -37.39 58.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.355 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.3 -49.49 87.74 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.971 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -75.01 -28.72 8.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.486 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 22.2 m -64.77 -58.99 4.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.424 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.05 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -66.41 -54.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.73 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -46.09 -47.57 17.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 108.283 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.478 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.5 tt0 -57.18 -46.23 82.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.47 ' HB3' HG13 ' A' ' 188' ' ' VAL . 7.2 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.975 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.1 -39.45 82.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.8 73.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.9 t0 -67.33 -44.73 78.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.033 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -59.14 -43.43 92.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.3 m -64.61 -51.15 64.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.406 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.9 OUTLIER -57.44 -46.94 83.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.508 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.5 -35.93 81.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.4 tt -54.98 -50.6 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 56' ' ' ALA . 47.1 mt -74.86 -24.02 17.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -66.79 -32.19 73.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.248 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -158.77 -71.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.409 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.87 176.6 35.7 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 4.3 ptp -89.62 -17.11 29.06 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.566 0.803 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.553 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -47.22 -48.23 55.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.553 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -75.04 -40.09 0.99 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.544 1.813 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.633 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.29 -37.06 85.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.2 tt0 -73.21 -40.35 64.79 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.88 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 25.4 m-20 -78.93 -19.09 52.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.488 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 3.4 ttt180 -98.72 -52.44 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.033 HG21 ' HB2' ' A' ' 172' ' ' ALA . 38.3 t -88.65 -64.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 13.7 t-80 -54.11 -11.53 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -116.04 70.65 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.598 ' CZ3' ' HD2' ' A' ' 103' ' ' ARG . 31.9 m-90 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 107.95 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.546 0.213 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -46.57 159.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' CB ' ' HD3' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 172.44 -56.11 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.31 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo -75.03 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -126.84 136.41 52.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.524 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -114.49 143.7 44.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.952 HG12 ' CG1' ' A' ' 91' ' ' ILE . 5.7 m -134.01 143.02 39.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.845 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -133.09 125.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 112.3 4.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.976 HD11 ' NE2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -96.26 113.42 25.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.26 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.415 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -118.33 -156.8 10.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.65 116.11 11.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.61 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 18.3 Cg_endo -75.02 -91.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.526 1.803 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 31.85 -148.65 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.576 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -123.78 -90.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -56.39 -44.95 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.959 ' CE2' HD21 ' A' ' 151' ' ' LEU . 1.3 t80 -73.16 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.61 ' HB2' ' O ' ' A' ' 13' ' ' PRO . . . -49.12 -38.34 24.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.615 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.9 mpt_? -83.46 -97.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.416 1.073 . . . . 0.0 110.323 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.675 ' HB ' HD12 ' A' ' 151' ' ' LEU . 70.7 p 40.19 18.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.615 ' N ' ' O ' ' A' ' 19' ' ' ARG . 5.6 mmp_? 65.1 -5.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.55 ' H ' ' C ' ' A' ' 20' ' ' THR . 6.7 m80 -74.61 16.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.918 ' OD1' HG23 ' A' ' 27' ' ' VAL . 26.5 t-20 -115.3 2.38 13.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.869 ' CG ' HD13 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -38.44 -42.94 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.59 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -51.91 -58.03 11.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.541 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 8.6 t80 -80.48 -19.86 45.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 111.03 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.918 HG23 ' OD1' ' A' ' 23' ' ' ASN . 1.3 t -74.15 -41.39 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.873 HG22 ' SG ' ' A' ' 166' ' ' CYS . 40.4 t -78.14 -48.65 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.887 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -59.31 -35.42 73.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 13.9 t70 -70.64 -50.89 32.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.232 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -53.73 -52.39 60.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mt -59.26 -54.03 51.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.83 -23.43 65.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -75.88 -34.03 59.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -43.57 10.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.39 -36.27 79.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.228 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 89.15 -2.1 83.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.592 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -24.56 135.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -104.81 31.29 4.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.93 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -57.62 -153.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.8 OUTLIER -174.03 -164.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.602 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -137.4 103.68 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -175.12 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.591 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.4 OUTLIER 54.38 170.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -31.55 68.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.236 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.829 ' HB3' HD11 ' A' ' 79' ' ' LEU . 24.1 p -69.22 -42.03 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.007 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 99.18 77.6 1.33 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.839 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 179.88 -178.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.601 0.824 . . . . 0.0 109.271 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 1.5 tt0 -87.75 150.86 23.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.93 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 14.9 p -171.81 158.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.769 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -143.72 125.59 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.62 125.73 41.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -143.41 131.19 4.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 5.7 mtp180 -117.54 107.33 14.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 0.737 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.543 ' O ' ' O ' ' A' ' 58' ' ' ARG . 73.8 m -169.35 -172.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.93 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 64.92 10.21 6.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 86.9 26.42 31.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.543 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.9 mmt-85 -178.47 161.97 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 0.759 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -76.58 167.82 21.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.072 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -156.64 112.84 3.01 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.429 1.081 . . . . 0.0 109.357 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.524 HG11 HD11 ' A' ' 6' ' ' LEU . 29.8 t -108.12 105.12 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.421 1.076 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.887 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.3 tm? -99.93 112.73 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.412 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -115.5 165.29 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' HD3' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -175.05 111.02 0.27 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.839 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.02 -157.7 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.474 1.776 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' C ' ' N ' ' A' ' 68' ' ' TYR . 78.0 mmt-85 -87.71 -78.76 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.543 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -51.36 -17.87 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 108.358 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.738 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.5 m-85 59.63 -77.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 67' ' ' CYS . 31.8 ttm -33.37 -91.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' OD1' ' HG2' ' A' ' 69' ' ' MET . 76.5 m-20 -69.7 -31.66 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.563 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.76 -34.21 72.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.738 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.4 t -80.45 -50.99 9.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.645 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -48.26 -48.98 26.18 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.031 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.975 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.54 -43.94 37.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 0.819 . . . . 0.0 110.276 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.59 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 4.1 tm0? -48.08 -50.41 28.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.792 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -68.55 -46.41 80.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.47 -68.33 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.975 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.01 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.829 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.43 -40.7 68.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.792 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.34 -49.46 63.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -16.94 60.85 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -73.48 -46.12 49.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 111.039 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.527 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 20.7 m-85 -84.77 -16.16 42.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 29.1 p 55.36 52.76 10.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 109.961 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 86' ' ' ALA . 4.9 t -96.12 172.93 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.582 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -83.93 157.64 63.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.73 ' HA ' ' CD1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -75.01 -31.64 6.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.026 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.99 -0.31 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.236 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.479 ' CG ' ' O ' ' A' ' 4' ' ' PRO . 90.5 m-20 -105.61 -29.59 10.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.511 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 7.4 mt -91.13 133.04 34.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.952 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -135.59 139.84 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.845 HG22 ' CG2' ' A' ' 8' ' ' VAL . 61.9 t -120.28 124.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.016 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.2 pt -104.92 143.36 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.976 ' NE2' HD11 ' A' ' 10' ' ' LEU . 9.3 t-160 -153.33 -178.01 6.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.575 1.172 . . . . 0.0 109.644 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.514 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.0 OUTLIER -105.64 142.16 35.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.582 ' O ' HD13 ' A' ' 137' ' ' ILE . 1.7 t70 -149.77 160.81 43.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.35 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.664 HD21 HG23 ' A' ' 150' ' ' VAL . 1.8 mp -97.9 102.68 14.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.42 ' OD1' HD12 ' A' ' 99' ' ' LEU . 49.6 t0 -94.84 -75.12 0.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.2 OUTLIER -134.53 -97.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.201 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.44 179.61 6.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.29 86.15 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.17 46.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.79 ' O ' HG23 ' A' ' 135' ' ' ILE . 15.7 tpp180 -132.88 158.86 41.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.254 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.971 HD13 ' CB ' ' A' ' 169' ' ' ALA . 0.3 OUTLIER -123.65 161.47 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.4 1.062 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.8 102.05 3.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.259 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.815 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.53 131.43 54.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -149.92 174.05 13.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.533 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -94.5 -55.66 5.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.533 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -112.12 -45.11 0.83 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.21 -114.44 3.73 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -161.39 93.91 0.12 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.807 ' OE1' HG21 ' A' ' 122' ' ' VAL . 1.8 tm-20 -78.83 72.64 5.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 0.834 . . . . 0.0 110.266 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.84 -89.78 1.96 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.537 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -69.02 64.88 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 5.4 m80 -160.51 106.99 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.618 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -62.81 -38.96 92.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -63.3 -61.69 6.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.125 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 122' ' ' VAL . 12.5 mt -51.39 -42.86 61.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 0.722 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -62.66 -36.24 82.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.163 . . . . 0.0 110.27 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.27 -33.43 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.987 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.786 HG13 HD12 ' A' ' 125' ' ' LEU . 2.8 t -69.14 -44.23 81.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.807 HG21 ' OE1' ' A' ' 112' ' ' GLU . 15.1 t -72.52 -26.32 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.79 65.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.06 -43.98 11.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.831 HD13 ' CD2' ' A' ' 130' ' ' PHE . 20.8 mt -78.47 -22.82 46.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.15 5.46 62.35 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.496 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 81.94 120.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.414 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.602 ' HB2' ' CE2' ' A' ' 130' ' ' PHE . 36.1 mmtt -141.0 14.4 2.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 7.9 t0 80.52 17.17 0.62 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.831 ' CD2' HD13 ' A' ' 125' ' ' LEU . 38.3 m-85 -49.44 171.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.568 ' HB2' HG22 ' A' ' 91' ' ' ILE . 24.0 mt-30 -104.47 156.63 17.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.554 ' NH2' HG22 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -140.42 149.61 42.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 110.326 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 1.016 ' HB ' HG22 ' A' ' 93' ' ' ILE . 3.1 t -134.29 86.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -91.41 143.48 26.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.869 HD13 ' CG ' ' A' ' 24' ' ' LEU . 2.7 mp -98.92 150.09 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -102.51 96.35 1.4 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.631 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -107.64 100.95 11.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.546 0.792 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 59.5 169.67 0.34 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.6 OUTLIER -152.28 157.45 33.87 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.349 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 18.2 Cg_endo -75.05 147.34 33.59 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.51 1.795 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -75.04 -24.82 12.38 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.456 1.766 . . . . 0.0 110.978 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 156.25 74.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.568 1.168 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 59.81 50.48 6.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 0.743 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 141' ' ' PRO . 0.8 OUTLIER -102.34 -77.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.868 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.7 OUTLIER -165.53 88.67 0.94 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -55.78 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.556 1.819 . . . . 0.0 111.031 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.488 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -57.66 -40.83 80.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.868 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.81 -43.17 98.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.413 ' O ' ' CG ' ' A' ' 152' ' ' GLU . 4.2 t80 -74.96 -19.09 60.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.664 HG23 HD21 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -81.89 -29.14 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.959 HD21 ' CE2' ' A' ' 17' ' ' TYR . 3.4 mp -89.83 38.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.645 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.8 mm-40 -67.27 -104.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.1 t30 142.85 45.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.856 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -73.26 29.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.996 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.63 -53.09 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.406 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.715 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.08 -72.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.457 1.767 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.856 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.2 -39.33 9.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 162' ' ' VAL . 17.9 mt-10 -75.83 -31.37 59.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.24 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.003 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.6 OUTLIER -58.67 -43.4 89.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.714 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.8 -34.32 45.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 6.8 mm-40 -75.23 -36.85 61.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.637 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.4 t -54.68 -51.47 78.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.003 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -25.5 11.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.446 1.761 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.537 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 3.2 m -60.74 -57.03 14.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.724 HG13 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -75.13 -55.15 12.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.873 ' SG ' HG22 ' A' ' 28' ' ' VAL . 62.6 m -40.69 -43.97 2.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.42 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.9 tt0 -69.49 -44.83 70.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 165' ' ' ILE . 2.8 mm-40 -64.27 -50.11 69.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.34 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.971 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -64.75 -36.16 83.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -60.95 -40.44 93.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.2 t0 -66.94 -43.17 83.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.037 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.43 -42.14 86.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.2 m -62.78 -52.45 63.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.1 pt-20 -58.14 -47.2 84.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.252 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.501 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -65.46 -41.55 93.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.4 tt -50.22 -50.7 48.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 23.8 mt -75.68 -23.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -65.24 -31.87 73.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 110.332 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -160.7 -71.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.404 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -155.19 173.37 33.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.032 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.4 ptt? -90.01 -17.48 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -48.87 -47.44 73.45 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.01 -38.79 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.654 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.64 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.397 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.603 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -71.17 -40.67 71.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.801 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 56.1 t30 -78.37 -20.95 50.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -96.64 -52.58 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 110.359 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.037 HG21 ' HB2' ' A' ' 172' ' ' ALA . 36.4 t -87.77 -57.71 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 12.8 t-80 -68.37 22.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.122 . . . . 0.0 109.593 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.801 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.22 -35.29 7.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.43 1.081 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.671 ' CE3' ' O ' ' A' ' 188' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.521 0.201 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.8 128.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -154.28 85.27 3.84 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.615 1.197 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -74.99 158.88 41.99 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.504 1.792 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.534 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -124.56 137.37 54.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.642 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -106.74 146.81 30.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.877 ' HB ' HD22 ' A' ' 62' ' ' LEU . 40.4 t -129.85 146.23 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.824 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.2 121.17 26.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.67 113.77 4.58 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.581 ' O ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -89.13 90.35 8.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -109.1 -150.75 14.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 22' ' ' HIS . 52.2 t30 -139.62 126.43 12.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.538 0.787 . . . . 0.0 109.285 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.726 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -9.93 20.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.96 -141.13 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -164.49 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.436 0.727 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.472 ' CG ' ' N ' ' A' ' 17' ' ' TYR . 6.2 p30 -43.49 -46.29 6.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.575 ' CE2' ' HG ' ' A' ' 151' ' ' LEU . 0.5 OUTLIER -88.8 -19.77 25.56 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.125 . . . . 0.0 110.937 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.69 -28.24 62.57 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.3 tpt180 -58.45 -58.18 9.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.686 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 71.5 p -30.82 -37.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.367 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.76 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 141.43 6.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.37 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.56 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -61.54 3.54 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.659 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.702 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.7 t-20 -122.38 40.4 3.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.999 HD12 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -65.33 -56.37 13.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.93 -43.27 30.81 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 7.2 t80 -79.43 -30.68 42.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.4 t -71.46 -40.39 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 93' ' ' ILE . 2.4 t -71.79 -49.48 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.49 -48.68 71.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -60.04 -44.44 94.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -54.31 -62.44 1.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 11.4 mt -54.93 -28.63 52.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -73.05 -54.49 8.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.03 -28.73 62.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.08 -49.82 13.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -81.8 10.61 5.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 68.85 -52.16 0.52 Allowed Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.481 1.113 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' LEU . . . -39.25 138.41 0.63 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -100.75 -141.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CE2' ' HE3' ' A' ' 64' ' ' LYS . 2.5 m-85 -147.97 148.22 30.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -121.8 -164.98 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' H ' ' CG ' ' A' ' 41' ' ' LYS . . . -128.63 121.24 28.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.81 143.7 28.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 109.623 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' SER . 1.0 OUTLIER -79.21 -145.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.581 1.176 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.578 ' HG2' ' CE2' ' A' ' 82' ' ' PHE . 1.3 mpt_? 66.68 -63.05 0.27 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' LYS . 2.9 m -115.62 -12.07 11.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.94 90.78 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.6 1.188 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.595 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -166.73 168.92 13.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.725 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.0 mm-40 -87.83 150.75 23.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.659 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 3.0 p -174.43 163.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -167.12 145.6 5.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.58 127.31 33.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.395 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.449 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -118.83 112.0 2.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.09 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.96 116.01 30.48 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.439 0.729 . . . . 0.0 110.324 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER 174.21 -159.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.936 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.883 ' HB1' HD13 ' A' ' 177' ' ' ILE . . . 41.72 28.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.29 48.51 85.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER 168.33 154.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 110.29 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.44 165.48 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.865 HD12 HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -162.09 123.21 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.642 HG11 HD11 ' A' ' 6' ' ' LEU . 53.5 t -104.78 106.65 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.877 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -94.08 113.4 25.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.251 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 64' ' ' LYS . . . -127.89 168.12 15.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 109.357 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.572 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 172.36 120.75 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.749 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.06 -154.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.726 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 8.7 mpt_? -80.8 -84.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.573 1.171 . . . . 0.0 110.315 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.593 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.07 -21.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.761 ' O ' ' N ' ' A' ' 72' ' ' SER . 35.7 m-85 61.04 -80.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.515 ' O ' ' O ' ' A' ' 68' ' ' TYR . 2.1 ttm -32.27 -97.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.679 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 21.1 m-20 -62.7 -38.62 91.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.593 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -53.0 -45.69 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.241 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.761 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.2 t -65.25 -46.8 79.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.871 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.49 -52.86 7.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.928 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.17 -51.52 10.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.57 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 28.8 mm-40 -44.49 -49.42 9.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.766 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.67 -48.52 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.13 -67.7 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.928 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.86 -45.65 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.3 OUTLIER -54.47 -40.77 68.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.805 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.54 -50.08 60.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -16.73 60.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.704 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -74.51 -44.77 49.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.416 ' HB3' HG23 ' A' ' 85' ' ' VAL . 6.6 m-85 -80.2 2.15 25.46 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.0 t 52.63 45.43 28.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.52 1.137 . . . . 0.0 109.981 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 83' ' ' TYR . 77.2 t -112.8 147.13 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.508 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -82.74 165.14 43.51 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.508 ' HD2' ' HB1' ' A' ' 86' ' ' ALA . 18.3 Cg_endo -75.05 -21.75 15.43 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.558 1.82 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -11.1 38.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.612 ' O ' ' N ' ' A' ' 6' ' ' LEU . 65.4 m-20 -110.6 -11.93 14.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 81.8 mt -93.02 135.55 27.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.815 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -133.81 117.44 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.391 1.057 . . . . 0.0 109.229 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.824 HG22 ' CG2' ' A' ' 8' ' ' VAL . 57.5 t -103.26 122.71 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.684 HD13 HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -105.68 145.87 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.818 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -154.14 179.51 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.6 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.525 ' CG ' ' CD ' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -108.02 143.04 37.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -152.21 152.12 31.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.732 HD12 ' CD ' ' A' ' 140' ' ' PRO . 0.4 OUTLIER -89.7 111.95 23.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.647 ' C ' HD12 ' A' ' 99' ' ' LEU . 3.4 t70 -117.7 -68.46 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.647 HD12 ' C ' ' A' ' 98' ' ' ASP . 10.6 mp -124.07 -106.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -89.61 172.08 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -86.8 64.0 8.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 111.014 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.555 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . 175.02 46.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.79 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 mmm-85 -138.83 165.2 27.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 0.737 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.026 HG23 HD11 ' A' ' 165' ' ' ILE . 1.1 pp -125.47 157.58 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.612 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -150.1 94.91 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.913 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.45 144.4 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 132' ' ' ARG . 9.2 mtpt -156.99 -178.5 7.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.535 HG13 ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -127.26 -80.4 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.535 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -46.14 -88.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -58.17 133.22 52.77 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 112' ' ' GLU . . . 179.26 -97.34 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' GLY . 7.8 tt0 -37.39 100.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 110.374 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -123.28 -64.94 0.21 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -145.92 66.05 0.43 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -135.1 129.68 34.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.579 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -64.42 -41.29 96.69 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.514 1.134 . . . . 0.0 109.238 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.812 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.17 -66.43 2.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 9.4 mt -50.44 -43.89 55.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.503 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.9 ttt-85 -60.65 -34.86 74.92 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -73.77 -32.36 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.052 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.871 HG22 ' HA2' ' A' ' 73' ' ' GLY . 3.7 t -74.01 -41.14 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.618 HG22 ' CB ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -65.5 -41.22 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.39 -37.91 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -72.23 -48.04 45.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.835 HD12 HG12 ' A' ' 121' ' ' VAL . 14.2 mt -78.73 -20.42 50.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 80.25 2.48 89.17 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.464 1.103 . . . . 0.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.618 ' CB ' HG22 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 69.84 117.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.601 0.824 . . . . 0.0 110.405 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 12.8 mmtt -148.93 17.05 0.97 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 1.093 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 5.7 m-20 82.23 95.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.487 ' C ' ' CD1' ' A' ' 130' ' ' PHE . 4.4 p90 -125.3 171.96 9.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -102.33 156.63 17.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -141.01 151.45 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 106' ' ' LEU . 9.5 t -137.64 86.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.612 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -89.79 145.37 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.999 HD13 HD12 ' A' ' 24' ' ' LEU . 3.5 mp -100.52 149.0 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.13 95.01 1.81 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.783 HD12 HG22 ' A' ' 150' ' ' VAL . 1.4 pp -105.8 95.71 4.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 0.758 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.521 ' O ' ' HA ' ' A' ' 97' ' ' LEU . . . 61.37 173.46 1.26 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.547 1.154 . . . . 0.0 110.957 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 23.7 ptt-85 -132.81 159.68 71.57 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.732 ' CD ' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.01 126.57 10.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -79.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.597 1.84 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -138.06 -143.66 4.55 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -98.24 60.95 1.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.44 -69.46 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 1.021 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.9 OUTLIER -171.85 97.19 0.39 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -63.1 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.542 1.811 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.0 86.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 1.021 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -61.11 -41.81 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.3 t80 -74.58 -22.73 58.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.783 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -80.4 -27.21 11.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 17' ' ' TYR . 3.4 mm? -90.94 39.07 0.98 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.542 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.0 mm-40 -60.63 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.358 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.599 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.2 t-20 152.13 47.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.819 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -69.25 32.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.651 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -11.87 -54.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.432 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.783 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.0 -81.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.518 1.799 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.819 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -43.03 -27.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.565 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 1.0 OUTLIER -79.43 -43.37 23.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.011 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -75.18 -30.77 60.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 110.255 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.641 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.3 -40.7 58.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.962 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.7 mm-40 -78.46 -35.85 46.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -48.66 -52.78 42.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.578 1.174 . . . . 0.0 109.376 179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.011 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -35.2 3.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.622 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -53.95 -53.32 54.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 110.487 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.026 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -76.76 -50.35 21.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.902 ' N ' HD13 ' A' ' 165' ' ' ILE . 17.2 m -44.29 -50.37 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 108.32 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.551 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -64.81 -46.09 83.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.538 ' HB3' HG13 ' A' ' 188' ' ' VAL . 2.1 mp0 -60.43 -42.99 97.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.869 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -67.6 -42.64 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.406 1.067 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -54.58 -39.8 68.17 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 4.5 m-20 -68.49 -45.03 73.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.222 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.914 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -56.73 -43.95 81.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.629 1.206 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -64.9 -53.53 44.99 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.452 1.095 . . . . 0.0 110.405 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.523 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 2.4 pt-20 -59.15 -47.34 85.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.523 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.5 OUTLIER -62.74 -39.13 93.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.655 ' C ' HD23 ' A' ' 176' ' ' LEU . 4.6 tt -55.22 -46.99 75.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.883 HD13 ' HB1' ' A' ' 56' ' ' ALA . 4.0 mt -68.48 -29.91 45.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.574 1.171 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.4 OUTLIER -62.44 -41.36 98.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -148.5 -72.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.21 173.45 35.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.461 ' HB3' ' CD1' ' A' ' 176' ' ' LEU . 2.4 ptp -87.46 -16.82 33.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.525 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -44.43 -50.03 23.66 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.527 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.4 Cg_endo -74.9 -38.42 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.437 1.756 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.613 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -64.13 -39.53 94.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.61 ' O ' ' C ' ' A' ' 189' ' ' HIS . 1.6 tt0 -70.38 -40.02 74.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.921 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 4.4 m-20 -79.61 -23.13 42.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -91.43 -54.36 3.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.222 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.914 HG21 ' HB2' ' A' ' 172' ' ' ALA . 80.8 t -88.28 -56.99 4.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.607 1.192 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.644 ' CE1' ' NH2' ' A' ' 103' ' ' ARG . 23.9 t-80 -73.07 20.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.52 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.921 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -69.16 -41.14 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.615 ' CZ3' ' O ' ' A' ' 188' ' ' VAL . 44.1 p90 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 107.961 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.438 0.161 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.45 104.44 1.25 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.51 74.89 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -177.77 3.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -132.63 137.91 47.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.657 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -115.3 137.95 51.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.368 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.567 HG13 ' CG1' ' A' ' 91' ' ' ILE . 21.9 t -127.67 145.26 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.481 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.75 119.4 24.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -88.45 105.81 3.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.969 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -92.73 95.43 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -118.77 -151.01 8.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.577 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 17.9 t-20 -138.23 128.98 15.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.613 0.831 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.3 Cg_endo -74.97 2.14 6.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.561 1.822 . . . . 0.0 111.013 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -55.61 -159.61 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.405 1.065 . . . . 0.0 110.96 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.8 -76.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -53.8 -37.35 63.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -84.38 -18.79 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.12 -29.06 68.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' C ' ' N ' ' A' ' 21' ' ' ARG . 21.7 mmt180 -53.98 -54.75 34.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.91 HG22 ' OD1' ' A' ' 153' ' ' ASN . 42.1 p -49.47 -14.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.145 . . . . 0.0 110.357 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.801 ' NE ' HG22 ' A' ' 162' ' ' VAL . 0.0 OUTLIER 106.98 19.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 110.245 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 12' ' ' ASN . 14.7 t-160 -63.96 5.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.56 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.5 t-20 -125.78 43.19 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD13 ' NE ' ' A' ' 21' ' ' ARG . 1.3 tp -62.49 -66.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.505 ' HA2' ' CD1' ' A' ' 93' ' ' ILE . . . -36.42 -48.07 1.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.2 -35.51 55.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 0.797 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.2 t -65.84 -41.28 89.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.446 ' O ' HD23 ' A' ' 31' ' ' LEU . 38.8 t -69.64 -50.44 50.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.065 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -53.16 -48.55 67.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' ALA . 32.1 t0 -59.76 -42.41 93.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.02 -61.07 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 4.0 mt -50.94 -48.26 60.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.69 97.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.618 1.199 . . . . 0.0 109.375 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -53.86 -37.63 63.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -44.3 14.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.259 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tp -66.1 -168.56 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.492 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -82.85 -17.8 66.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 50.54 105.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.49 74.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.911 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.7 OUTLIER -144.48 -155.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -165.85 -161.85 0.53 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -122.22 126.14 47.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -63.4 110.4 1.92 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 -48.15 64.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.11 -65.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.986 ' CB ' HD11 ' A' ' 79' ' ' LEU . 4.2 p -70.14 -44.57 68.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 75' ' ' GLN . . . 97.31 67.05 0.92 Allowed Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.565 1.165 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 43' ' ' HIS . . . -173.0 164.37 4.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.6 mt-10 -77.68 148.28 35.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.578 1.173 . . . . 0.0 110.305 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.586 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 6.4 m -146.09 112.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.911 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -114.65 109.52 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.97 127.62 33.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.398 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.85 127.93 5.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.96 107.06 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.312 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.1 OUTLIER -175.2 -162.39 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.85 26.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.24 51.41 56.8 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HG3' ' CG2' ' A' ' 177' ' ' ILE . 0.1 OUTLIER 171.64 153.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 0.803 . . . . 0.0 110.353 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.64 174.8 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.046 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 2.1 pp -173.92 107.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.49 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 40.9 t -98.97 109.56 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.065 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -99.63 113.97 26.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.455 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -126.93 163.19 24.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -178.45 121.88 0.25 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.682 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.02 -157.29 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.476 1.777 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.1 mmt180 -80.44 -85.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.621 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -43.66 -22.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 108.317 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.722 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.3 m-85 63.92 -80.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.969 ' HA ' HD13 ' A' ' 10' ' ' LEU . 19.7 ttm -38.41 -96.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.55 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 31.9 t-20 -58.54 -37.55 75.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 74' ' ' ARG . 0.2 OUTLIER -54.79 -50.68 67.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.722 ' N ' ' O ' ' A' ' 68' ' ' TYR . 72.1 p -64.68 -32.19 73.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.937 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -58.89 -50.67 65.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 1.119 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -85.19 -35.18 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.568 0.805 . . . . 0.0 110.301 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 19.6 mm100 -63.08 -46.26 88.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.609 ' O ' ' N ' ' A' ' 80' ' ' ALA . 70.7 mt -73.75 -49.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -31.79 -61.06 0.3 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 1.119 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -48.22 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.428 1.752 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.986 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.09 -41.46 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.682 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -66.97 -49.63 64.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 -16.78 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -74.64 -43.89 53.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.578 1.174 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -80.47 -4.03 52.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.9 t 49.01 46.02 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.858 HG22 ' ND2' ' A' ' 89' ' ' ASN . 0.4 OUTLIER -101.44 162.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.557 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -81.93 148.8 61.77 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.648 ' HA ' ' CE1' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.98 -9.01 20.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.453 1.765 . . . . 0.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.54 -6.91 53.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.858 ' ND2' HG22 ' A' ' 85' ' ' VAL . 27.0 p30 -112.12 -18.07 12.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.58 ' HB ' ' CD1' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -86.13 129.46 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.567 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -139.6 120.42 14.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 133' ' ' VAL . 7.8 p -104.79 131.66 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 109.247 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.592 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -111.51 144.19 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.572 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 9.9 t-160 -156.92 171.7 19.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.093 . . . . 0.0 109.623 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.52 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p30 -95.31 139.95 30.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.666 ' CG ' ' HE2' ' A' ' 115' ' ' HIS . 6.4 t0 -146.03 160.8 41.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.482 ' CD1' ' HD3' ' A' ' 140' ' ' PRO . 0.4 OUTLIER -94.9 114.3 26.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.513 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.2 OUTLIER -117.34 -76.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 98' ' ' ASP . 8.3 mp -130.06 -98.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.436 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -90.31 174.58 7.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.308 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.61 ' CE1' ' CG1' ' A' ' 137' ' ' ILE . 1.4 m-85 -94.22 90.05 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.739 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 150.2 41.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.921 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.8 mmm-85 -136.5 154.93 50.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 0.763 . . . . 0.0 110.332 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.954 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.8 pp -116.81 160.42 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.4 tpm_? -149.08 104.96 3.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.802 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.0 139.54 38.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -152.68 171.33 18.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.657 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -95.64 -55.5 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.332 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -108.72 -57.78 0.55 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.35 -109.06 1.35 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.5 134.86 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -96.24 33.59 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.18 108.1 2.58 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.146 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.62 1.3 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.666 ' HE2' ' CG ' ' A' ' 96' ' ' ASP . 1.5 m80 -64.79 100.88 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.578 0.81 . . . . 0.0 109.558 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.0 m-20 -58.61 -47.78 83.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.363 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.71 -55.15 24.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.416 ' HG ' ' CB ' ' A' ' 115' ' ' HIS . 11.2 mt -58.49 -49.44 77.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -35.88 74.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 116' ' ' ASN . 7.4 t -69.7 -39.18 77.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.967 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.637 HG13 HD12 ' A' ' 125' ' ' LEU . 3.6 t -65.51 -43.52 94.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.594 HG13 ' CB ' ' A' ' 127' ' ' THR . 75.8 t -73.31 -24.32 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.2 64.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.42 -45.16 10.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.584 1.178 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.092 HD13 ' CE2' ' A' ' 130' ' ' PHE . 21.2 mt -78.17 -23.36 47.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.532 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 72.08 5.83 62.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.594 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 78.43 119.84 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.428 0.722 . . . . 0.0 110.431 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 40.2 mmtt -136.83 16.07 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.657 ' O ' HD11 ' A' ' 108' ' ' ILE . 16.5 m-20 91.64 6.38 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 1.092 ' CE2' HD13 ' A' ' 125' ' ' LEU . 17.5 m-85 -43.25 167.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.464 ' HB2' HG22 ' A' ' 91' ' ' ILE . 38.7 mt-30 -108.04 158.17 17.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -142.06 149.63 40.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.656 ' O ' HG12 ' A' ' 133' ' ' VAL . 2.8 t -132.8 86.12 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 105' ' ' ARG . 10.3 mtp180 -88.39 145.82 25.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.921 HG23 ' O ' ' A' ' 103' ' ' ARG . 4.0 mp -104.41 149.75 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.37 105.74 3.3 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.747 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -111.96 101.53 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.474 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . 48.43 175.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.62 141.57 15.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.482 ' HD3' ' CD1' ' A' ' 97' ' ' LEU . 18.4 Cg_endo -74.97 127.37 10.65 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.449 1.763 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -75.03 -1.18 10.89 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -178.99 -129.43 1.3 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.547 1.154 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -126.86 4.94 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.773 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -51.19 13.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.932 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -173.56 92.7 0.35 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.145 . . . . 0.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.424 1.75 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.72 76.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.932 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -57.45 -37.95 73.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.477 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.6 OUTLIER -74.26 -32.45 62.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.747 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -65.31 -36.5 77.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.227 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.618 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -92.08 43.46 1.14 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.1 mm-40 -54.88 -48.96 72.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.91 ' OD1' HG22 ' A' ' 20' ' ' THR . 9.8 m-20 91.13 44.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.678 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 1.1 m-85 -70.22 18.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.585 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.2 OUTLIER -22.27 -52.47 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.42 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.678 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -66.44 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.52 1.8 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.638 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -49.3 -43.76 43.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.704 ' O ' ' N ' ' A' ' 162' ' ' VAL . 5.2 mm-40 -72.63 -29.81 63.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.024 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -60.53 -41.64 94.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.657 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.89 -35.8 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.476 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 3.9 mm-40 -78.53 -33.62 47.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.801 HG22 ' NE ' ' A' ' 21' ' ' ARG . 1.9 t -54.94 -52.22 72.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.024 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -74.98 -34.13 4.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.519 1.8 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.476 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -70.0 -49.28 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.739 HD13 ' O ' ' A' ' 102' ' ' GLY . 4.6 tp -70.51 -59.83 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.596 ' N ' ' CG2' ' A' ' 165' ' ' ILE . 92.1 m -44.88 -47.29 11.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.0 OUTLIER -57.52 -46.19 84.1 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.419 ' HB3' HG13 ' A' ' 188' ' ' VAL . 0.7 OUTLIER -65.16 -47.2 77.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.954 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -65.6 -37.36 86.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -58.81 -44.03 90.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.435 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.0 OUTLIER -64.48 -43.82 92.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.051 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.95 -41.64 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 6.5 m -60.95 -52.97 62.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.434 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.49 -47.23 82.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.509 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.08 -41.52 90.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.73 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.7 tt -49.78 -49.05 49.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.474 ' CG2' ' HG3' ' A' ' 58' ' ' ARG . 9.6 mt -76.87 -24.35 15.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -66.28 -31.4 72.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -157.21 -71.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -161.86 176.84 38.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 185' ' ' GLN . 4.5 ptp -88.01 -20.27 26.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.52 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -45.65 -50.36 32.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.532 1.145 . . . . 0.0 110.269 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.94 -39.61 1.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.583 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -38.07 89.24 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.569 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.97 -40.47 68.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.729 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -78.47 -20.56 50.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.1 ttt180 -96.68 -53.06 3.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.051 HG21 ' HB2' ' A' ' 172' ' ' ALA . 60.4 t -88.04 -58.05 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.569 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.4 t-80 -67.93 23.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.612 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.729 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -108.03 45.68 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 108.011 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.68 69.45 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 179.33 81.93 0.18 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.324 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.01 164.27 33.66 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -133.34 140.53 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.4 tt -105.89 149.2 26.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.976 ' HB ' HD22 ' A' ' 62' ' ' LEU . 10.9 t -135.66 142.73 38.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.819 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.4 119.14 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.47 107.55 3.41 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.531 1.145 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -87.04 103.66 15.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.753 . . . . 0.0 109.268 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.53 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -140.21 5.39 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.572 1.17 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.633 ' CB ' ' HB1' ' A' ' 18' ' ' ALA . 1.1 m120 -136.35 126.43 16.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.435 0.726 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.2 Cg_endo -75.02 78.54 2.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.644 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 66.35 134.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.936 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . 166.97 123.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -54.77 -26.86 37.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -92.63 -17.95 23.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.936 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . . . -72.13 -41.95 66.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 20' ' ' THR . 18.3 mmt85 -39.59 -46.1 1.73 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.538 HG21 ' O ' ' A' ' 151' ' ' LEU . 53.9 p -33.43 -38.7 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.339 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.619 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.2 ptp180 156.17 -9.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.547 ' CG ' ' OD1' ' A' ' 12' ' ' ASN . 1.2 t-160 -53.93 -3.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.664 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.687 ' O ' HG23 ' A' ' 27' ' ' VAL . 51.9 t30 -122.69 36.46 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.371 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.006 HD13 HD13 ' A' ' 135' ' ' ILE . 5.2 mt -61.13 -42.04 97.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.837 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -53.06 -50.75 50.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.7 t80 -84.23 -24.72 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 23' ' ' ASN . 7.9 t -72.92 -41.07 60.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.47 HG11 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -82.58 -38.85 15.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -66.94 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.9 t0 -75.22 -48.8 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.71 -50.93 69.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mt -57.04 -57.33 13.05 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.519 1.137 . . . . 0.0 109.242 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -61.97 -21.06 64.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -78.48 -28.14 46.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' NH1' HD11 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -97.86 -44.77 6.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.251 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.05 -21.46 61.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.84 -5.15 82.12 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.65 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -32.77 148.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -134.65 39.92 2.99 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.854 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -58.09 -152.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.159 . . . . 0.0 111.048 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.3 OUTLIER -174.93 -163.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -116.89 113.11 22.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.349 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 1.113 ' HE2' ' HB3' ' A' ' 48' ' ' ALA . 10.0 p-80 -67.05 144.69 56.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 109.592 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.51 -49.99 4.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -37.81 -70.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.322 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.479 ' CB ' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -70.18 -42.83 71.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 95.91 90.0 1.78 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.113 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . 162.11 -174.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.5 0.765 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' HA ' ' HA ' ' A' ' 42' ' ' ALA . 2.5 tp10 -114.65 148.84 37.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.854 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 8.8 p -158.5 162.5 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.364 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.73 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -143.84 125.95 15.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.33 125.6 30.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -126.04 94.38 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' O ' ' CB ' ' A' ' 55' ' ' SER . 5.5 mtp180 -114.36 114.7 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.537 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER 164.42 -165.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.973 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 47.57 33.53 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 58.04 47.06 91.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.537 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.9 OUTLIER 171.99 161.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.312 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.21 169.38 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.056 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.5 pp -164.96 121.48 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 53.0 t -104.55 103.37 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.976 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -89.55 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 50' ' ' VAL . . . -103.8 166.97 10.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HZ1' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -178.64 109.77 0.21 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.651 ' HG3' ' HA ' ' A' ' 72' ' ' SER . 18.2 Cg_endo -75.04 -157.31 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.427 1.751 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.3 mmt180 -80.25 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.676 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -50.96 -15.53 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 108.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.622 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 11.2 m-85 60.79 -77.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.088 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.485 ' N ' ' O ' ' A' ' 67' ' ' CYS . 3.8 ttt -42.77 -94.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -59.71 -34.66 73.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.676 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -57.08 -43.57 82.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.651 ' HA ' ' HG3' ' A' ' 65' ' ' PRO . 41.1 t -66.42 -49.75 65.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.038 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.643 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -46.17 -52.62 10.07 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.386 1.054 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.979 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.92 -46.08 22.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.309 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.697 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 3.4 mm-40 -50.11 -48.04 53.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.781 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.6 mm -68.03 -47.44 78.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.9 -66.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.979 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.02 -46.81 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.812 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -54.41 -39.63 67.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.791 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.58 -51.09 54.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.074 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -72.77 -16.97 61.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.661 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -74.68 -44.44 50.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -80.51 0.29 34.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 85.2 p 54.1 47.09 24.04 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 86' ' ' ALA . 38.4 t -122.74 151.03 26.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.224 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -83.79 166.21 35.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.553 ' HB2' ' CA ' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.06 -19.53 17.63 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.15 -10.19 6.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 56.7 m-20 -110.28 -25.47 10.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.536 HG12 HD22 ' A' ' 6' ' ' LEU . 9.7 mt -87.23 137.38 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.905 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -135.87 143.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.272 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.819 HG22 ' CG2' ' A' ' 8' ' ' VAL . 22.6 t -120.83 132.38 70.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.996 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -110.07 147.48 14.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.763 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.0 t-160 -153.74 175.3 13.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.554 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.781 ' CB ' HD12 ' A' ' 24' ' ' LEU . 1.9 p-10 -100.1 141.01 33.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -152.03 165.66 34.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.241 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.872 HD22 HG21 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -101.31 132.03 47.05 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 138' ' ' GLY . 0.5 OUTLIER -127.33 -78.16 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.455 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 1.3 mp -131.17 -86.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.4 mp0 -89.06 167.53 13.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 7.5 m-85 -91.73 66.67 5.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 171.52 44.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.672 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -135.66 163.34 30.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.735 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -124.08 164.8 21.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 134' ' ' ARG . 4.8 tpt180 -146.38 105.99 3.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.807 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.98 132.48 53.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -152.62 172.89 15.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.759 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -118.62 -85.46 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.502 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -56.89 -85.78 0.03 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . 35.67 -146.89 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -132.48 127.34 4.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.533 ' N ' HH22 ' A' ' 132' ' ' ARG . 0.1 OUTLIER -69.85 -17.49 63.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.277 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.51 -163.39 18.11 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.105 . . . . 0.0 111.054 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.69 68.16 3.42 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.491 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.2 OUTLIER -110.46 128.51 55.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 0.732 . . . . 0.0 109.65 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.473 ' O ' ' CB ' ' A' ' 120' ' ' SER . 1.5 m-80 -72.27 -35.34 68.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -70.91 -61.19 4.15 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.438 1.086 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.17 -50.7 68.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.8 ttm-85 -58.6 -42.36 87.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.349 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 17.6 t -66.62 -30.3 70.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.643 HG22 ' HA2' ' A' ' 73' ' ' GLY . 18.4 t -67.34 -44.52 87.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.771 HG13 ' O ' ' A' ' 127' ' ' THR . 41.6 t -71.89 -29.46 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.09 -41.5 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.61 -47.31 70.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.274 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.791 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -78.97 -24.49 43.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 63.41 8.47 25.52 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.771 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -101.79 -152.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.484 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 19.7 tptt 179.72 78.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -168.94 24.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.209 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.553 ' CA ' ' HB2' ' A' ' 87' ' ' PRO . 24.6 p90 -90.27 169.44 11.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.599 ' HB2' HG22 ' A' ' 91' ' ' ILE . 56.3 mt-30 -109.51 159.18 17.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.304 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.533 HH22 ' N ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -136.21 147.2 47.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.346 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.996 ' HB ' HG22 ' A' ' 93' ' ' ILE . 6.1 t -136.42 84.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.0 mpp_? -88.41 145.98 25.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.006 HD13 HD13 ' A' ' 24' ' ' LEU . 2.7 mp -95.82 150.04 4.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.47 97.51 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.764 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -110.94 100.32 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.597 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . 61.24 171.65 0.89 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.115 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 4.2 ptt85 -118.34 157.36 49.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.531 0.783 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.668 ' CD ' HD12 ' A' ' 97' ' ' LEU . 17.9 Cg_endo -75.09 115.75 4.37 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.406 1.74 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -88.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -112.76 -138.93 7.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -119.56 3.07 11.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.749 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.421 ' HE2' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -50.86 -52.41 41.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.831 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.4 OUTLIER 174.54 88.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -75.05 -50.34 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.462 1.77 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.6 -45.48 89.04 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.42 -40.71 92.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.18 -26.54 59.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.872 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -71.39 -36.07 59.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.829 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -100.62 46.57 0.94 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.174 . . . . 0.0 109.356 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.561 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -55.71 -88.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.605 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 9.5 t30 151.35 47.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.78 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.26 27.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.955 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.565 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -24.97 -51.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.608 1.192 . . . . 0.0 110.412 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.659 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -75.09 -66.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.78 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.83 -43.08 38.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.681 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.41 -31.33 65.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.005 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -58.93 -45.48 90.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.235 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.735 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -74.55 -36.24 63.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.994 ' O ' HG22 ' A' ' 165' ' ' ILE . 0.4 OUTLIER -75.19 -38.59 60.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.426 1.079 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.681 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -49.65 -50.95 63.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.005 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.95 -29.01 8.77 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.049 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -64.95 -59.37 4.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.071 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.994 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.56 -53.78 28.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.677 ' O ' ' N ' ' A' ' 170' ' ' ALA . 35.2 t -47.24 -47.54 24.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 108.368 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -57.83 -47.25 83.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.588 1.18 . . . . 0.0 110.303 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.453 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 4.4 tm0? -65.84 -44.99 83.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.716 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.49 -37.56 68.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.196 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.677 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.31 -47.06 76.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.14 -43.36 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.663 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -60.96 -41.58 96.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.8 m -63.51 -53.12 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.411 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.51 ' O ' HG22 ' A' ' 177' ' ' ILE . 1.9 pt-20 -57.73 -42.52 84.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.56 ' CD2' ' HB2' ' A' ' 183' ' ' PRO . 1.2 tp -70.39 -41.27 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.727 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.5 tt -49.24 -47.32 46.53 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.128 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.51 HG22 ' O ' ' A' ' 174' ' ' GLU . 1.4 tt -71.45 -38.56 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.28 -67.83 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -101.92 -76.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -167.38 -167.18 27.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -86.84 -14.64 41.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.521 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -50.12 -50.37 69.96 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.56 ' HB2' ' CD2' ' A' ' 175' ' ' LEU . 18.5 Cg_endo -74.99 -38.04 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.805 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.2 -45.57 91.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.615 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -67.47 -35.55 79.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.06 -22.89 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.02 -58.47 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 110.242 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.805 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -62.47 -47.08 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.615 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -80.03 16.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.561 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -140.1 85.77 2.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.516 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.516 0.198 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.82 46.09 2.24 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 64.5 104.53 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.288 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 59' ' ' SER . 18.2 Cg_endo -75.03 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.492 1.785 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.952 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -130.75 166.99 19.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.589 1.18 . . . . 0.0 109.308 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.457 ' O ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -124.17 139.83 53.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.938 HG13 ' CG1' ' A' ' 91' ' ' ILE . 4.4 t -124.86 142.29 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 109.338 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.836 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.23 120.28 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' NZ ' ' A' ' 64' ' ' LYS . . . -100.92 110.32 3.87 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.779 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -93.93 108.73 20.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 23' ' ' ASN . . . -127.14 -140.18 5.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.554 1.159 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.9 128.69 18.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HG3' ' HA ' ' A' ' 67' ' ' CYS . 18.3 Cg_endo -75.0 -24.62 12.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.54 -147.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.573 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -158.68 -68.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 109.381 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -46.02 -38.88 8.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -93.41 -20.2 20.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.573 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -72.43 -37.57 68.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -44.85 -25.12 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 18.4 p -76.79 24.14 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.846 ' CZ ' HD21 ' A' ' 24' ' ' LEU . 1.4 mtt180 67.97 10.87 8.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.475 ' CE1' HD21 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -65.68 7.93 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.688 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.9 t30 -128.61 40.64 3.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.598 1.186 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.886 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -61.76 -45.7 92.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.53 -47.63 68.93 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.664 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 11.2 t80 -81.55 -25.02 36.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 0.736 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 23' ' ' ASN . 10.7 t -76.72 -38.01 29.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.696 HG23 HD12 ' A' ' 24' ' ' LEU . 2.6 t -76.73 -47.73 27.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.841 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -61.42 -44.72 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.61 1.194 . . . . 0.0 109.238 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.2 t70 -66.12 -39.74 90.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.506 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.19 -58.27 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.601 1.188 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 mt -56.73 -52.4 65.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.349 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -60.9 -20.76 62.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.26 -28.29 29.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -83.63 -41.88 17.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.95 16.02 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 43.53 27.68 0.87 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.528 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -45.9 173.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.03 58.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.754 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -79.61 -158.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.585 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -179.62 -163.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 49' ' ' GLU . . . -144.33 150.92 38.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' ALA . 66.2 t60 -130.57 156.17 45.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 45' ' ' ARG . 2.3 pttp -62.87 -164.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 36.89 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.543 1.152 . . . . 0.0 110.361 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.509 ' CB ' HD21 ' A' ' 79' ' ' LEU . 33.0 m -66.48 57.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -125.65 -55.65 0.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.909 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.1 -169.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 9.5 tp10 -76.41 149.3 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.754 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 11.0 p -173.06 158.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.612 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -143.63 126.77 16.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.72 127.21 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.44 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -117.56 118.45 4.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.504 1.128 . . . . 0.0 111.014 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -141.55 91.35 2.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 0.735 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -170.05 -162.14 0.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 46.33 25.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.14 42.06 96.68 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 177.97 152.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.291 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.623 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -81.08 -177.12 6.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 110.057 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 174.11 114.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 39.4 t -97.92 106.05 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.369 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.841 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -92.38 108.27 19.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.309 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.542 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -113.56 170.11 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.583 1.177 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.628 ' HZ3' HD21 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 177.71 118.84 0.18 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.909 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.94 -152.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.528 1.804 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.502 ' C ' ' N ' ' A' ' 68' ' ' TYR . 3.0 mmt-85 -90.06 -85.2 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -45.51 -22.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 108.316 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.86 ' O ' ' N ' ' A' ' 72' ' ' SER . 21.5 m-85 61.85 -79.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.664 ' HA ' HD13 ' A' ' 10' ' ' LEU . 53.8 ttm -27.67 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -70.79 -32.84 70.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 1.6 mt-10 -60.77 -32.71 72.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.86 ' N ' ' O ' ' A' ' 68' ' ' TYR . 32.6 t -78.83 -55.24 5.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.039 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.594 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -44.72 -50.93 8.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.13 -47.32 36.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.75 . . . . 0.0 110.298 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -43.32 -51.37 6.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.852 HG23 HD21 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -67.78 -44.96 85.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.21 -70.42 0.06 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.994 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.96 -46.5 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.472 1.775 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.46 -39.63 64.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.773 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.8 -50.48 56.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -16.98 61.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.645 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -75.74 -44.41 41.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -85.31 -12.1 53.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.05 51.69 11.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.793 ' CG1' HD11 ' A' ' 90' ' ' ILE . 9.8 p -95.28 168.78 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.466 ' H ' HG22 ' A' ' 85' ' ' VAL . . . -90.69 156.83 44.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.631 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.5 Cg_endo -74.97 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.2 14.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.952 ' O ' HD12 ' A' ' 5' ' ' LEU . 28.3 m-20 -116.1 -23.67 8.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.793 HD11 ' CG1' ' A' ' 85' ' ' VAL . 84.6 mt -86.57 122.97 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.938 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -128.03 116.9 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.836 HG22 ' CG2' ' A' ' 8' ' ' VAL . 50.8 t -105.48 121.91 58.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.641 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -105.68 146.27 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.92 ' O ' HD12 ' A' ' 135' ' ' ILE . 12.8 t-160 -157.19 164.62 37.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.621 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.88 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -96.17 144.42 26.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.514 ' OD1' HD23 ' A' ' 97' ' ' LEU . 4.3 t0 -151.76 179.35 8.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.796 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.3 pt? -107.14 105.18 15.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.871 ' HB3' HD12 ' A' ' 99' ' ' LEU . 3.2 t0 -124.17 -68.31 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.871 HD12 ' HB3' ' A' ' 98' ' ' ASP . 4.5 mp -119.58 -125.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.583 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.3 OUTLIER -80.3 -175.1 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 110.241 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.569 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -91.78 64.66 4.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.525 ' CA ' HG21 ' A' ' 165' ' ' ILE . . . 167.08 45.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.571 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -135.31 125.63 26.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 110.265 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.595 HG22 HG12 ' A' ' 135' ' ' ILE . 1.3 pp -98.32 153.91 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 134' ' ' ARG . 3.2 mmt180 -143.97 116.6 8.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.859 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.11 129.33 51.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -135.84 179.25 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.784 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.4 OUTLIER -119.24 -89.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -125.39 48.0 0.99 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -71.97 -68.48 1.6 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.53 100.81 0.14 Allowed Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' N ' ' CD ' ' A' ' 112' ' ' GLU . 1.0 OUTLIER -41.09 135.35 1.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.68 54.54 3.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.414 1.071 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 38.05 45.01 1.61 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.91 138.67 34.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 0.733 . . . . 0.0 109.572 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.39 -43.9 75.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.236 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.32 -48.59 84.54 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.41 ' CB ' ' HB2' ' A' ' 112' ' ' GLU . 14.7 mt -64.66 -48.27 75.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 0.783 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.477 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -59.67 -36.0 75.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.0 t -74.53 -29.31 61.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.647 ' O ' ' HB2' ' A' ' 125' ' ' LEU . 2.2 t -71.87 -43.86 68.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.592 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.96 -41.14 87.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.01 -35.13 64.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.594 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -77.47 -51.51 10.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 76' ' ' ILE . 22.5 mt -78.54 -21.13 49.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.592 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 77.59 0.6 73.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.448 ' C ' ' HG2' ' A' ' 128' ' ' LYS . 0.4 OUTLIER 77.02 120.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.666 ' HB2' ' CZ ' ' A' ' 130' ' ' PHE . 53.6 mmtt -146.67 15.87 1.25 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.784 ' O ' HD11 ' A' ' 108' ' ' ILE . 9.0 t0 87.66 20.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.747 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 75.2 m-85 -55.4 153.79 6.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.606 ' HG3' HD13 ' A' ' 108' ' ' ILE . 46.3 mt-30 -93.75 155.46 17.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.249 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -144.45 149.58 36.23 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.425 1.078 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 6.2 t -128.5 89.3 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 105' ' ' ARG . 9.1 mtp180 -88.75 145.46 25.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.92 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.3 mp -105.61 142.56 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -103.03 107.35 3.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.88 HG21 ' OD2' ' A' ' 95' ' ' ASP . 2.3 pt -100.92 154.06 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.628 ' C ' ' O ' ' A' ' 137' ' ' ILE . . . -15.4 124.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 99' ' ' LEU . 9.7 ptt180 -105.64 158.0 33.31 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.534 0.785 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 18.5 Cg_endo -74.99 142.6 28.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.61 1.848 . . . . 0.0 111.063 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.48 ' CD ' ' HE3' ' A' ' 144' ' ' LYS . 18.3 Cg_endo -74.99 -63.16 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.484 1.781 . . . . 0.0 110.971 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 143' ' ' ARG . . . -157.06 102.07 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.569 1.168 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 142' ' ' GLY . 0.5 OUTLIER 36.81 57.85 1.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.266 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.48 ' HE3' ' CD ' ' A' ' 141' ' ' PRO . 7.2 ttmt -110.92 -80.85 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.943 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 4.1 m-20 -149.68 92.42 4.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.416 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -75.04 -66.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.499 1.789 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -70.91 -33.89 70.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.335 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.943 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.59 -44.32 93.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 138' ' ' GLY . 9.7 t80 -78.16 -27.49 48.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.65 HG23 ' HB3' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -67.85 -32.03 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.34 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.475 HD21 ' CE1' ' A' ' 22' ' ' HIS . 60.3 mt -105.02 44.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.709 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -63.21 -101.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.709 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 2.9 t-20 136.25 46.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.757 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.7 30.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.961 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.604 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -20.62 -51.95 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.388 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.734 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.04 -75.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.576 1.83 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.757 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.68 -38.12 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.703 ' HG2' HG23 ' A' ' 162' ' ' VAL . 1.0 OUTLIER -75.06 -32.76 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.3 -43.71 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.7 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.51 -34.57 54.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.57 1.169 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.638 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 5.5 tp10 -74.34 -37.36 63.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.703 HG23 ' HG2' ' A' ' 158' ' ' GLU . 0.9 OUTLIER -54.04 -52.6 66.83 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.03 -24.28 12.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.442 1.759 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.638 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -62.78 -54.65 35.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.163 . . . . 0.0 110.377 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.599 ' CG2' ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -77.22 -53.37 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.721 ' O ' ' HB2' ' A' ' 170' ' ' ALA . 57.8 m -42.0 -44.84 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.275 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 0.8 OUTLIER -69.78 -47.08 64.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -63.96 -45.86 87.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 173' ' ' THR . . . -71.31 -35.18 71.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.89 -48.97 74.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 29.3 m-20 -68.28 -40.53 81.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.911 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.91 -36.34 84.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.2 m -64.56 -51.44 62.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.41 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.9 pt-20 -56.66 -42.99 79.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.525 HD21 ' HB2' ' A' ' 183' ' ' PRO . 1.4 tp -69.36 -38.0 77.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.749 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.6 tt -52.97 -47.88 67.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.5 mt -81.41 -20.93 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.456 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 0.6 OUTLIER -57.91 -60.88 3.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.59 -71.74 0.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -152.48 -177.18 25.87 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -11.58 35.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.999 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.567 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -51.43 -47.51 88.72 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.371 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.01 -37.56 1.96 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.417 1.746 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.792 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -44.46 87.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.0 tt0 -68.03 -36.62 80.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.836 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 13.5 t30 -82.2 -21.96 36.18 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -102.1 -57.6 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.911 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.66 -51.49 61.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -73.32 8.8 1.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.836 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.24 94.43 2.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 108.025 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.507 0.194 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.09 88.26 1.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -144.5 74.1 15.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.24 18.7 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.518 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.499 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.6 OUTLIER -131.87 137.84 48.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.912 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.658 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -117.14 138.16 51.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.796 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -126.4 140.59 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.718 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.07 122.35 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.324 179.932 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -86.99 107.6 3.26 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.448 1.092 . . . . 0.0 111.007 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.947 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -94.2 93.4 7.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.395 0.703 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -119.2 -149.61 8.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.596 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 2.9 m120 -134.29 128.99 19.59 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.44 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.75 -166.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -143.82 -172.41 3.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 109.368 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 56.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.599 ' CE2' ' HG ' ' A' ' 151' ' ' LEU . 1.9 t80 -67.6 -22.57 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.98 -43.6 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.538 ' O ' ' C ' ' A' ' 20' ' ' THR . 4.4 tpt180 -44.73 -49.75 10.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.673 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 72.5 p -26.34 -44.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 110.396 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.673 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.55 -15.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 1.1 t-160 -53.29 -5.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.6 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.657 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.9 t-20 -103.64 18.47 21.83 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -53.62 -69.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.961 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.61 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -31.16 -63.87 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -64.95 -36.83 85.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 111.052 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.5 t -58.85 -44.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.771 HG21 HD13 ' A' ' 93' ' ' ILE . 81.8 t -64.63 -48.97 82.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB1' ' HE3' ' A' ' 64' ' ' LYS . . . -55.99 -46.37 78.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.6 -45.82 73.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.688 HD13 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -57.5 -62.6 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' LEU . 5.9 mt -55.76 -33.02 63.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.858 ' HA ' HD22 ' A' ' 36' ' ' LEU . . . -71.34 -26.29 62.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.19 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -92.65 -43.44 9.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.093 HD21 ' HB3' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -72.27 -34.7 68.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.64 ' N ' HD23 ' A' ' 36' ' ' LEU . . . 91.26 -41.15 2.9 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 1.093 ' HB3' HD21 ' A' ' 36' ' ' LEU . . . -26.25 137.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.52 0.776 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -95.81 74.07 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.869 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 18.8 m-85 -32.13 148.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -115.94 -175.41 2.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -155.77 139.85 16.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -138.48 151.84 47.75 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.478 1.111 . . . . 0.0 109.54 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.6 mmmt -65.56 -171.07 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.6 ttt85 34.52 -144.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 1.046 ' O ' HD21 ' A' ' 79' ' ' LEU . 72.7 p -68.4 55.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 109.999 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -121.44 -58.1 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.97 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.868 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.73 -168.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.46 0.741 . . . . 0.0 109.251 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.59 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 2.2 tp10 -86.98 148.15 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -173.83 163.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.869 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -165.55 147.07 7.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.405 1.065 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.11 127.41 33.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.445 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.579 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -122.14 109.65 1.47 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -109.76 115.84 30.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 0.728 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.449 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.89 -157.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 38.27 32.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' SER . . . 57.37 51.69 56.14 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HB2' HG21 ' A' ' 177' ' ' ILE . 0.1 OUTLIER 165.49 155.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -80.06 164.15 23.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.579 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -158.01 127.06 5.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.582 1.176 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.446 HG11 HD11 ' A' ' 6' ' ' LEU . 23.6 t -103.79 110.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.346 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.837 HD12 ' CE1' ' A' ' 40' ' ' PHE . 1.7 tm? -101.26 125.46 47.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 -179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.506 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -140.08 165.56 27.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.667 ' HE3' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.23 117.15 0.26 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.868 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.91 -157.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.439 1.757 . . . . 0.0 111.046 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.478 ' C ' ' N ' ' A' ' 68' ' ' TYR . 82.1 mmt-85 -80.81 -83.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.659 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -49.98 -17.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.644 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.6 m-85 61.74 -80.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.947 ' HA ' HD13 ' A' ' 10' ' ' LEU . 30.7 ttm -39.27 -90.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.675 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 7.6 p-10 -62.4 -41.85 98.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.659 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 2.7 tp10 -50.93 -44.63 60.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.063 . . . . 0.0 110.361 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.644 ' N ' ' O ' ' A' ' 68' ' ' TYR . 46.8 t -66.0 -45.71 80.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.053 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.848 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -46.52 -52.55 10.83 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.984 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -79.18 -50.31 11.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 0.749 . . . . 0.0 110.327 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.611 ' OE1' ' HB2' ' A' ' 48' ' ' ALA . 7.1 mm-40 -46.39 -48.14 18.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.732 ' O ' ' N ' ' A' ' 80' ' ' ALA . 51.8 mt -68.89 -48.1 72.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.59 -66.7 0.07 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.424 1.078 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.984 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.9 -45.61 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.046 HD21 ' O ' ' A' ' 46' ' ' SER . 22.5 mt -54.36 -41.72 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.74 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.28 -45.21 77.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -77.69 -16.72 58.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.6 t80 -76.55 -39.59 52.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -79.35 -2.37 41.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.7 t 48.98 45.5 22.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.085 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 89' ' ' ASN . 0.5 OUTLIER -120.79 163.22 18.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.604 1.19 . . . . 0.0 109.336 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.36 154.25 59.61 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.095 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.674 ' HG3' HG21 ' A' ' 127' ' ' THR . 18.5 Cg_endo -74.96 -10.08 21.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -11.94 31.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.692 HD21 HG22 ' A' ' 85' ' ' VAL . 15.6 p30 -108.77 -15.27 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.0 OUTLIER -85.56 128.63 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.796 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -137.71 118.42 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 7.7 p -102.57 128.02 55.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.886 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -101.2 148.76 6.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.987 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.931 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.1 t-160 -155.19 -179.98 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.527 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.468 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 2.3 p30 -105.01 139.58 39.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.611 ' O ' HD13 ' A' ' 137' ' ' ILE . 4.4 t0 -148.23 155.78 41.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.731 HD12 ' HD3' ' A' ' 140' ' ' PRO . 0.3 OUTLIER -92.67 115.09 27.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -118.89 -69.75 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.506 HD23 ' HG3' ' A' ' 100' ' ' GLU . 8.3 tp -131.5 -105.42 0.27 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HG3' HD23 ' A' ' 99' ' ' LEU . 14.2 mt-10 -88.23 179.12 6.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.27 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.662 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.26 75.11 5.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 111.065 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 165.59 40.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.72 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -132.39 157.33 44.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.027 HG21 ' HB2' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -114.31 163.22 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 109.36 179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 134' ' ' ARG . 13.0 tpt180 -151.05 100.59 2.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.853 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -101.67 129.61 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -147.56 165.37 30.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.746 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.4 tp -119.2 -86.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.746 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -58.06 -48.46 82.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.607 1.192 . . . . 0.0 111.063 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.447 ' HA3' ' NH2' ' A' ' 132' ' ' ARG . . . 40.06 -99.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.551 ' O ' ' CB ' ' A' ' 112' ' ' GLU . . . -166.05 -56.07 0.03 OUTLIER Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 111' ' ' GLY . 2.3 tm-20 90.32 21.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 0.829 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.14 146.4 25.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.527 1.142 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 50.36 54.84 18.53 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.448 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -148.98 107.49 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.671 179.917 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 120' ' ' SER . 9.2 m-80 -66.45 -54.07 28.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 1.025 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -53.35 -60.98 7.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.542 HD13 ' CD ' ' A' ' 132' ' ' ARG . 9.6 mt -51.12 -43.73 61.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.512 ' O ' HG12 ' A' ' 122' ' ' VAL . 7.3 ttt180 -65.93 -33.9 76.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 116' ' ' ASN . 0.5 OUTLIER -74.66 -32.24 62.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 1.025 HG23 ' O ' ' A' ' 117' ' ' GLY . 4.0 t -72.87 -41.72 60.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.39 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -66.46 -43.45 90.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.235 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.38 77.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.59 1.182 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -70.27 -44.03 69.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.862 HD12 HG12 ' A' ' 121' ' ' VAL . 34.5 mt -76.56 -24.61 53.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.419 1.075 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 67.95 4.04 32.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.462 1.102 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.674 HG21 ' HG3' ' A' ' 87' ' ' PRO . 14.6 t -123.75 -176.54 3.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.436 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.462 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -154.67 48.21 0.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.5 ' CB ' ' HG2' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -116.05 -2.37 12.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.543 ' HB2' HG23 ' A' ' 90' ' ' ILE . 4.4 p90 -77.96 170.89 15.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.432 ' CA ' HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -126.04 168.91 13.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.542 ' CD ' HD13 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -141.05 150.28 42.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.886 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.7 t -122.99 87.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 105' ' ' ARG . 7.0 mtp180 -86.01 146.92 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.931 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.4 mp -103.53 148.16 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.362 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 96' ' ' ASP . . . -93.57 98.85 2.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.662 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -106.99 101.6 12.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.527 0.78 . . . . 0.0 109.259 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 53.38 169.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -146.76 160.27 41.42 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 110.291 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.731 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.09 141.91 26.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -26.98 10.39 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.501 1.79 . . . . 0.0 110.983 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -175.04 -83.54 0.06 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.53 1.144 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.41 42.05 1.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 0.753 . . . . 0.0 110.275 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 145' ' ' ASP . 11.5 ttmt -87.82 -80.88 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.585 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 19.2 m-20 -166.83 100.94 0.66 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.17 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.56 -39.76 77.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.585 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -64.08 -46.02 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.601 1.188 . . . . 0.0 109.308 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.426 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -70.64 -20.79 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 110.938 -179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.651 HG12 HD22 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -83.31 -31.45 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.414 1.071 . . . . 0.0 109.344 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.651 HD22 HG12 ' A' ' 150' ' ' VAL . 1.6 mm? -92.64 42.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 20.5 mt-10 -70.81 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.582 ' C ' ' H ' ' A' ' 155' ' ' THR . 15.2 t30 150.91 47.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 109.366 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.791 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -71.02 30.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.413 1.071 . . . . 0.0 110.985 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.602 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -20.54 -53.07 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.358 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.711 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.791 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.31 -39.05 13.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.666 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.0 OUTLIER -74.0 -32.75 63.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.0 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.41 -42.41 91.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.71 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.42 -35.55 54.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.993 ' O ' HG22 ' A' ' 165' ' ' ILE . 17.2 mm-40 -76.75 -36.58 57.01 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.666 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -52.63 -50.76 78.86 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.0 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.03 -30.62 6.94 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.555 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.3 OUTLIER -59.8 -54.13 49.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.993 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -74.62 -53.61 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.773 ' N ' HD13 ' A' ' 165' ' ' ILE . 51.3 m -43.8 -49.12 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -63.35 -47.19 83.2 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.456 1.097 . . . . 0.0 110.246 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.584 ' HG3' ' CH2' ' A' ' 191' ' ' TRP . 0.7 OUTLIER -62.01 -42.03 98.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 1.027 ' HB2' HG21 ' A' ' 104' ' ' ILE . . . -65.64 -43.74 88.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.06 71.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.474 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.1 t0 -67.07 -44.15 80.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.055 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -56.88 -44.18 82.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 24.5 m -63.55 -52.58 60.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.478 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.6 pt-20 -58.57 -45.3 89.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.478 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.96 -38.42 86.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.366 -179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.705 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.1 tt -54.15 -50.23 67.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.513 HG21 ' HB2' ' A' ' 58' ' ' ARG . 32.6 mt -74.23 -25.0 19.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -43.32 99.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.0 -70.61 0.17 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.524 1.14 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -155.39 178.99 31.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 185' ' ' GLN . 2.7 ptt? -91.25 -17.85 25.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -49.99 -45.87 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -75.08 -37.94 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.397 1.735 . . . . 0.0 111.03 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.75 -35.99 79.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.648 ' HA ' ' HB2' ' A' ' 189' ' ' HIS . 2.2 tt0 -70.3 -40.53 74.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.998 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 22.6 t-20 -82.74 -23.43 34.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.529 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -90.26 -54.33 4.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.055 HG21 ' HB2' ' A' ' 172' ' ' ALA . 21.2 t -81.52 -52.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.88 16.66 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.565 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.998 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -68.29 -37.19 80.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.383 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.584 ' CH2' ' HG3' ' A' ' 168' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 108.029 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.495 0.188 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.21 90.61 1.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.357 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' O ' ' CZ ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -175.21 74.04 0.29 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 -179.938 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.03 -170.38 0.77 Allowed 'Trans proline' 0 C--N 1.362 1.25 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -135.48 141.84 45.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.638 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -115.38 142.43 46.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.305 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.884 ' HB ' HD22 ' A' ' 62' ' ' LEU . 42.6 t -127.31 147.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 1.033 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.91 127.13 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' HA3' ' O ' ' A' ' 25' ' ' GLY . . . -97.22 114.13 4.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.792 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -95.87 96.43 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 0.727 . . . . 0.0 109.318 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.91 -162.24 20.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.423 ' HB2' ' HB3' ' A' ' 22' ' ' HIS . 4.4 m120 -130.6 113.17 16.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.447 0.733 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.5 Cg_endo -74.94 2.99 5.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.558 1.82 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -44.73 -104.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.485 1.115 . . . . 0.0 111.017 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 18' ' ' ALA . . . -179.05 -130.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.776 . . . . 0.0 109.291 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -45.82 -34.4 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 2.0 t80 -69.25 -36.93 77.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -73.6 -38.64 65.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 21' ' ' ARG . 17.7 mmt180 -43.5 -46.24 6.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.335 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.602 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 59.1 p -32.1 -36.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.765 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 150.33 -9.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 12' ' ' ASN . 0.7 OUTLIER -61.22 3.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.628 179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.717 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.6 t30 -113.58 31.69 6.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.394 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 21' ' ' ARG . 1.4 mm? -66.93 -60.95 2.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.158 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . -36.84 -42.45 0.72 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.685 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 14.3 t80 -84.17 -40.23 18.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.4 t -64.79 -41.21 91.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.634 ' CG2' HD12 ' A' ' 24' ' ' LEU . 42.7 t -76.03 -48.16 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.608 1.193 . . . . 0.0 109.277 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 25' ' ' GLY . . . -53.82 -43.91 69.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.582 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 17.0 t70 -69.1 -46.47 67.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD12 ' HD3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -51.9 -53.01 45.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.3 mt -55.41 -63.0 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.47 -13.92 16.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.582 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.13 -18.59 21.61 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -102.85 -41.13 6.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -19.84 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 92.09 -6.87 78.94 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 52' ' ' THR . . . -39.28 142.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.765 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.74 58.51 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.623 ' CE2' ' CG2' ' A' ' 50' ' ' VAL . 2.4 t80 -78.23 -106.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.6 OUTLIER -164.7 -167.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.647 ' HB2' ' CD ' ' A' ' 49' ' ' GLU . . . -148.85 159.94 43.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.372 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 25.8 t60 70.07 -95.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 50.47 -179.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -49.68 -41.05 42.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.9 p -47.33 -52.71 15.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.954 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.19 49.2 1.92 Allowed Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.475 1.109 . . . . 0.0 111.056 -179.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.573 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 176.32 171.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 0.716 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.647 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 2.4 tp10 -78.98 148.26 32.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 110.244 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.675 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -152.48 134.91 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' LEU . . . -145.16 106.98 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.726 HG22 HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -72.9 151.09 42.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.455 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.462 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -143.92 120.81 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -109.52 111.62 23.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 58' ' ' ARG . 3.2 t -177.47 -161.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 40.19 31.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 57.76 47.02 91.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.472 ' CZ ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER 172.84 152.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.765 . . . . 0.0 110.364 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -81.14 164.35 22.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.783 HD12 HD23 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -155.09 120.93 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.726 HG22 HG22 ' A' ' 52' ' ' THR . 44.8 t -101.13 108.09 22.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.884 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.6 OUTLIER -93.98 109.88 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.675 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -122.92 165.8 16.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' NZ ' ' HB1' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.81 117.54 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.663 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.97 -156.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.436 1.756 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.48 ' C ' ' N ' ' A' ' 68' ' ' TYR . 27.8 mmt180 -83.64 -86.02 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.18 . . . . 0.0 110.282 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.575 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -48.34 -18.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 108.343 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.685 ' OH ' ' CD1' ' A' ' 26' ' ' PHE . 17.0 m-85 62.19 -76.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.741 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -39.96 -93.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.504 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 52.8 t-20 -63.15 -32.22 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.413 1.071 . . . . 0.0 109.203 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 0.4 OUTLIER -58.21 -47.77 82.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.1 t -65.55 -47.34 76.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.435 1.084 . . . . 0.0 109.981 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.58 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -46.52 -52.22 11.26 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 1.09 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -81.85 -35.81 28.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.638 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 3.1 mm-40 -62.03 -46.19 90.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.033 HD11 HG11 ' A' ' 8' ' ' VAL . 1.5 mp -71.06 -50.04 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.87 -63.36 0.2 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 1.09 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -74.99 -47.9 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.801 . . . . 0.0 110.971 -179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.85 -40.85 66.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.699 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.24 -47.4 70.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -16.26 59.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.6 t80 -75.88 -44.24 41.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.631 ' HB3' HG23 ' A' ' 85' ' ' VAL . 12.9 m-85 -81.69 -10.16 59.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.7 t 55.12 49.96 16.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.631 HG23 ' HB3' ' A' ' 83' ' ' TYR . 23.2 t -101.12 172.29 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.556 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -82.44 153.83 68.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.256 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -74.94 -32.72 5.25 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.69 2.9 7.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' LEU . 84.5 m-20 -104.46 -21.71 13.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.418 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 11.6 mt -87.48 133.68 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.726 HD12 ' C ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -137.62 119.1 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.904 HG22 ' CG2' ' A' ' 8' ' ' VAL . 48.2 t -104.53 130.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 109.224 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.554 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -108.89 147.49 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.967 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.8 t-160 -152.9 171.85 17.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.613 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.532 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 18.7 t70 -108.54 143.62 37.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.73 153.4 22.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.922 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.476 ' HA ' ' C ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -85.69 115.37 23.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.256 -179.898 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -108.31 -79.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -134.43 -71.88 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.267 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -89.02 163.05 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.548 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -96.23 39.65 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.988 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.483 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -170.4 46.1 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.497 1.123 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.689 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -134.13 171.58 14.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.767 . . . . 0.0 110.269 -179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.118 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -124.48 165.61 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.629 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.82 95.68 2.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.322 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 1.024 HD12 ' N ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -101.3 147.8 25.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 1.024 ' N ' HD12 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -155.77 163.21 40.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.514 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -97.33 -54.68 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.514 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -153.77 67.67 0.31 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -84.88 -69.54 1.36 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.429 ' C ' ' N ' ' A' ' 113' ' ' GLY . . . 165.29 96.96 0.11 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.462 ' O ' ' ND1' ' A' ' 115' ' ' HIS . 0.4 OUTLIER -41.24 -27.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 0.792 . . . . 0.0 110.265 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 111' ' ' GLY . . . 43.21 -108.09 0.15 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.522 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.584 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -93.12 81.47 1.07 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 41.4 m80 -160.89 101.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 0.752 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.462 ' CB ' ' HE3' ' A' ' 69' ' ' MET . 6.8 m-20 -63.12 -35.16 79.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.412 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -58.53 -65.74 3.29 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.407 ' HG ' ' HB3' ' A' ' 115' ' ' HIS . 9.1 mt -51.78 -45.4 63.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 0.807 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER -60.69 -35.75 77.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.142 . . . . 0.0 110.352 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.27 -31.41 69.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.763 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -69.35 -44.47 80.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' A' ' 126' ' ' GLY . 33.7 t -71.42 -26.66 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.81 64.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -84.04 -45.09 13.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.89 HD13 ' CE1' ' A' ' 130' ' ' PHE . 22.9 mt -78.56 -21.89 48.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.613 ' O ' HG22 ' A' ' 127' ' ' THR . . . 74.08 8.39 78.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER 83.85 164.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.34 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.674 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 14.5 mmtt 155.83 -3.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.674 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 10.5 t0 138.69 -99.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.468 1.105 . . . . 0.0 109.24 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.89 ' CE1' HD13 ' A' ' 125' ' ' LEU . 31.0 m-85 58.39 148.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 0.0 111.074 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -111.74 158.46 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.332 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.29 147.7 50.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.901 HG22 ' HB2' ' A' ' 106' ' ' LEU . 11.1 t -134.41 81.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.629 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.7 146.62 26.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.967 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.5 mp -95.77 146.17 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.1 101.91 2.06 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.623 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.6 pp -118.72 79.66 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . -105.21 166.65 14.58 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER 176.37 61.94 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.4 Cg_endo -74.98 113.64 3.84 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.593 1.838 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -29.55 7.98 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.477 1.778 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 153.16 65.9 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 50.61 54.72 10.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.509 0.77 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -104.82 -75.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.961 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.3 OUTLIER -161.95 102.54 1.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 179.932 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.71 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.559 1.82 . . . . 0.0 111.023 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.4 -45.35 72.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.961 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.37 -40.0 89.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 139' ' ' ARG . 0.5 OUTLIER -72.9 -28.39 62.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.596 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -67.46 -41.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.477 ' HG ' HG12 ' A' ' 150' ' ' VAL . 84.2 mt -89.53 49.24 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -79.38 -112.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.594 1.184 . . . . 0.0 110.304 -179.957 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.589 ' C ' ' H ' ' A' ' 155' ' ' THR . 16.9 t30 159.64 47.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.815 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -70.05 27.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.953 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.589 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.41 -52.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.379 179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.702 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.91 -71.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.815 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.26 -42.71 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.7 ' O ' ' N ' ' A' ' 162' ' ' VAL . 18.7 mt-10 -74.3 -28.92 61.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 110.347 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.997 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.72 -45.32 89.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.262 -179.938 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.737 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.89 -34.27 51.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 1.018 ' O ' HG22 ' A' ' 165' ' ' ILE . 11.6 tp10 -76.12 -37.18 58.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.7 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.6 t -53.5 -50.38 83.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.997 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -28.86 8.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.414 1.744 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.56 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -63.47 -59.52 4.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.362 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.118 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.83 -54.02 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.583 1.177 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.675 ' N ' HD13 ' A' ' 165' ' ' ILE . 56.6 m -45.91 -46.33 15.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.442 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.3 tt0 -59.58 -44.71 93.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.347 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.437 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 32.3 tp60 -67.91 -40.25 83.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.902 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -71.87 -41.92 67.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.03 -43.03 81.48 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -67.14 -42.84 83.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.698 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -58.75 -40.84 85.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.2 m -63.69 -53.73 46.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.453 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 5.3 pt-20 -62.73 -39.28 93.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -44.15 69.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.748 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.2 tt -52.89 -43.94 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.6 mt -79.39 -23.61 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -62.01 -43.62 98.45 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -143.5 -72.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.239 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -155.25 177.88 32.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.42 1.075 . . . . 0.0 111.023 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 17.8 ttt -89.58 -10.73 44.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 0.789 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.574 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.0 mp0 -49.25 -47.42 76.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.305 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.99 -38.14 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.715 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.48 -40.68 93.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.646 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.7 tt0 -70.21 -37.64 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 1.002 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 54.5 t30 -82.87 -21.54 34.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.536 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.82 -56.03 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.715 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -72.21 -54.75 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.244 -179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.646 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -67.11 0.26 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.633 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 1.002 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -138.87 94.65 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.676 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 107.984 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.5 0.191 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.15 92.28 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.465 ' O ' ' NE ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER 175.66 103.52 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.11 4.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.58 1.831 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.528 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.8 OUTLIER -131.75 137.83 48.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.621 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -118.2 138.94 51.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.354 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.745 HG13 ' CG1' ' A' ' 91' ' ' ILE . 19.6 t -129.83 144.42 38.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -136.36 120.28 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.64 107.22 3.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.771 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.04 106.01 18.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -128.52 -143.73 5.66 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' HIS . 2.4 m-80 -135.07 128.97 18.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.455 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.02 -173.77 1.69 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.386 1.73 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.624 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -34.1 115.54 0.15 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 167.71 136.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -62.43 -11.99 19.12 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.11 ' CE1' HD11 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -70.24 -18.18 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.975 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.33 -30.85 65.13 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.536 1.148 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' C ' ' H ' ' A' ' 21' ' ' ARG . 20.1 mmt180 -37.99 -41.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.082 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.827 HG21 HD12 ' A' ' 151' ' ' LEU . 0.1 OUTLIER -75.9 38.63 0.17 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.718 ' HD2' HG21 ' A' ' 162' ' ' VAL . 5.8 mmp_? 54.09 22.37 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -65.91 8.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 109.649 179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.68 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.2 t-20 -131.55 44.72 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.211 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.573 HD12 HD13 ' A' ' 135' ' ' ILE . 0.2 OUTLIER -63.42 -51.28 66.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.754 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -48.91 -44.61 31.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.474 1.109 . . . . 0.0 110.937 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 7.4 t80 -84.06 -29.27 26.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 0.806 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.8 t -71.69 -36.49 59.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG22 HD12 ' A' ' 32' ' ' LEU . 7.8 p -80.53 -51.65 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.834 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -56.94 -33.99 67.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' CB ' ' O ' ' A' ' 26' ' ' PHE . 23.2 t70 -72.85 -53.41 11.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.1 OUTLIER -53.43 -51.78 61.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.175 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.683 HD21 ' HB1' ' A' ' 170' ' ' ALA . 1.6 mt -55.14 -57.74 10.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.555 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . . . -60.86 -18.03 53.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 31' ' ' LEU . . . -83.0 -27.28 30.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -98.95 -42.81 6.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.43 -21.71 63.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.24 -7.4 81.59 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.555 ' HB3' ' CB ' ' A' ' 33' ' ' ALA . . . -32.92 147.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 0.791 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.86 76.46 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.705 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -79.55 -166.74 1.03 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' CG ' ' H ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -156.83 -163.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.926 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -112.27 141.74 45.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.402 1.063 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' HB2' ' CG2' ' A' ' 50' ' ' VAL . 14.9 t60 -110.22 110.19 20.94 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.463 1.102 . . . . 0.0 109.574 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -51.13 27.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -40.36 -54.23 2.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.895 ' HB2' HD11 ' A' ' 79' ' ' LEU . 95.6 p -83.03 -46.4 12.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.552 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 98.02 66.03 0.89 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 172.61 173.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.8 mm-40 -84.72 147.85 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.597 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.6 OUTLIER -144.0 124.76 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.705 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -115.29 111.17 20.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.44 124.66 32.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.43 131.6 5.59 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.44 1.087 . . . . 0.0 110.966 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -141.18 98.09 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 0.782 . . . . 0.0 110.243 -179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -164.43 -158.62 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.934 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 109.338 179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.77 42.45 98.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.498 ' HB2' ' CG2' ' A' ' 177' ' ' ILE . 1.6 mmt-85 178.93 155.17 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.231 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.03 177.95 8.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 60' ' ' LEU . 2.3 pp -175.16 107.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.226 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 4.1 t -107.69 101.74 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.576 1.173 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.834 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -96.57 111.22 23.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.356 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.643 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -122.26 168.99 11.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.359 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.632 ' HZ1' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -178.34 118.62 0.24 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.261 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.635 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.08 -158.75 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.582 1.833 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.503 ' C ' ' N ' ' A' ' 68' ' ' TYR . 40.7 mmt-85 -84.26 -83.73 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.59 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.39 -19.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 108.297 179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 9.3 m-85 61.01 -79.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.739 ' HA ' HD13 ' A' ' 10' ' ' LEU . 34.4 ttp -33.28 -90.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 69' ' ' MET . 1.8 t-20 -69.6 -33.4 72.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.59 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.3 OUTLIER -58.8 -32.87 69.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.214 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 91.3 p -80.14 -51.68 8.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.0 -179.906 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.636 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -47.87 -49.45 22.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.407 1.067 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.98 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.8 -44.08 42.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 0.793 . . . . 0.0 110.271 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.587 ' N ' ' HG2' ' A' ' 74' ' ' ARG . 2.5 tm0? -47.9 -50.08 27.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 7.4 mt -68.0 -45.31 83.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -67.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.98 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.11 -46.51 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.895 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.46 -40.16 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.76 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.24 -49.64 59.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.356 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.95 -16.5 61.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.594 1.184 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.701 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -76.96 -43.59 34.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -88.68 -13.46 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.7 t 53.57 48.73 21.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.008 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.912 HG22 ' ND2' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -95.59 162.47 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.363 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -82.05 150.11 64.24 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HB3' ' CD1' ' A' ' 130' ' ' PHE . 18.3 Cg_endo -75.01 -4.53 15.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.53 -1.47 53.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.912 ' ND2' HG22 ' A' ' 85' ' ' VAL . 27.4 p30 -116.65 -16.89 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mt -86.74 124.85 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.745 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 114.68 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.9 p -102.87 123.77 56.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.763 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.4 OUTLIER -106.48 141.14 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.669 ' O ' HD12 ' A' ' 135' ' ' ILE . 11.1 t-160 -161.16 168.79 23.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.554 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.585 ' O ' ' CE1' ' A' ' 115' ' ' HIS . 1.0 OUTLIER -101.99 143.57 31.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.461 ' CG ' ' NE2' ' A' ' 115' ' ' HIS . 8.8 t0 -137.55 152.82 49.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.967 HD21 ' HA ' ' A' ' 150' ' ' VAL . 3.3 mp -83.97 85.03 7.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.1 OUTLIER -132.54 -43.97 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.656 ' C ' ' H ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -135.76 90.39 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.829 ' N ' ' H ' ' A' ' 138' ' ' GLY . 16.8 tt0 -67.01 33.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.656 ' H ' ' C ' ' A' ' 99' ' ' LEU . 5.5 m-85 -104.11 -54.94 2.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.2 50.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 135' ' ' ILE . 1.3 tmm_? -115.07 161.1 18.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 0.743 . . . . 0.0 110.298 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.026 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.0 OUTLIER -109.01 149.93 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.252 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 10.7 ttp85 -138.88 104.93 5.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.994 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -103.23 141.14 36.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.257 -179.937 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.643 ' N ' HD12 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -166.82 -168.72 1.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.46 1.1 . . . . 0.0 109.238 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.991 HD11 ' O ' ' A' ' 129' ' ' ASP . 1.1 tp -115.69 -131.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.68 ' N ' HG23 ' A' ' 108' ' ' ILE . . . -95.45 63.99 1.35 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -145.74 25.02 1.8 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.49 -92.85 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 43.94 58.67 3.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.52 0.777 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -45.06 -95.29 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.89 64.89 0.59 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 95' ' ' ASP . 20.0 m170 -114.79 119.0 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.597 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -28.16 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.251 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.457 ' HA3' ' CD2' ' A' ' 10' ' ' LEU . . . -67.93 -57.37 8.81 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 122' ' ' VAL . 14.4 mt -56.44 -48.65 76.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 0.76 . . . . 0.0 109.366 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -36.63 75.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.36 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -70.91 -30.34 66.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.949 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.893 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -68.42 -44.99 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.541 HG13 ' CB ' ' A' ' 127' ' ' THR . 12.2 t -72.94 -27.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.23 -35.37 66.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -87.84 -42.57 12.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.103 . . . . 0.0 109.363 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.893 HD12 HG13 ' A' ' 121' ' ' VAL . 46.6 mt -79.34 -23.4 43.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.531 1.145 . . . . 0.0 109.356 179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.49 5.72 78.73 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.541 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 82.74 117.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 0.796 . . . . 0.0 110.418 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.66 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 15.0 tptt -137.36 6.08 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.991 ' O ' HD11 ' A' ' 108' ' ' ILE . 14.0 t0 89.74 19.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.558 1.161 . . . . 0.0 109.227 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.726 ' CE2' ' HB3' ' A' ' 125' ' ' LEU . 67.1 m-85 -54.1 155.39 3.61 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.547 1.154 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.508 ' CG ' HD12 ' A' ' 108' ' ' ILE . 35.4 mt-30 -96.57 155.34 16.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.442 ' NH2' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -144.21 146.11 32.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.994 HG22 ' HB2' ' A' ' 106' ' ' LEU . 3.4 t -123.58 86.83 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.425 1.078 . . . . 0.0 109.259 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -88.09 143.28 27.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.767 HG13 HG22 ' A' ' 104' ' ' ILE . 3.6 mp -104.18 150.62 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.398 1.061 . . . . 0.0 109.262 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 99' ' ' LEU . . . -93.57 115.25 4.9 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.55 1.156 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.0 pp -154.62 77.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 0.824 . . . . 0.0 109.308 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.829 ' H ' ' N ' ' A' ' 100' ' ' GLU . . . 157.67 178.83 32.08 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 171.45 73.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.584 0.814 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 121.6 6.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.467 ' CG ' ' HE2' ' A' ' 144' ' ' LYS . 18.3 Cg_endo -75.07 -65.08 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.956 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 168.6 132.84 1.48 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 43.1 39.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.467 ' HE2' ' CG ' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -104.47 -64.77 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.958 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.6 OUTLIER 168.77 95.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -52.78 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.14 91.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.958 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.41 -42.02 90.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -75.83 -29.99 58.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.398 1.061 . . . . 0.0 110.998 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.967 ' HA ' HD21 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -64.82 -36.18 77.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.429 1.081 . . . . 0.0 109.336 179.902 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 1.11 HD11 ' CE1' ' A' ' 17' ' ' TYR . 2.6 mp -101.91 41.46 1.21 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.514 ' C ' ' O ' ' A' ' 151' ' ' LEU . 2.0 mp0 -29.12 -51.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.33 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 155' ' ' THR . 23.7 t30 67.57 30.55 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.73 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.7 OUTLIER -72.44 21.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.601 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -19.3 -52.51 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.436 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.73 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.06 -72.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 161' ' ' GLU . . . -46.36 -41.41 13.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.758 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.6 OUTLIER -75.53 -28.69 59.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 0.0 110.307 179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -56.9 -45.41 82.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 110.247 -179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.719 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -80.19 -33.23 38.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.626 ' O ' HG22 ' A' ' 165' ' ' ILE . 6.0 mm-40 -77.23 -34.91 55.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.758 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -57.11 -50.5 87.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.405 1.066 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -28.0 9.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.414 1.744 . . . . 0.0 111.026 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.8 OUTLIER -58.31 -56.55 20.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.35 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.921 ' CG1' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -77.11 -47.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.597 ' N ' HD13 ' A' ' 165' ' ' ILE . 30.3 m -46.4 -44.88 17.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.574 1.171 . . . . 0.0 108.367 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.2 tt0 -69.54 -44.52 70.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 110.221 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.12 -46.85 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 1.026 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.93 -41.65 86.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.394 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.683 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -55.95 -42.09 75.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.2 t0 -66.33 -41.88 88.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.775 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -57.72 -40.54 79.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.6 m -63.88 -54.24 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.394 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.617 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -61.04 -34.28 74.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.617 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -73.28 -46.02 52.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.795 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.9 tt -52.03 -40.66 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.371 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.498 ' CG2' ' HB2' ' A' ' 58' ' ' ARG . 15.9 mt -82.23 -26.3 9.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.231 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 3.8 tm-20 -58.3 -45.0 88.81 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -147.8 -71.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 110.317 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -150.73 177.92 28.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -92.82 -5.7 50.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.782 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.598 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.1 mt-10 -52.34 -45.53 94.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.97 -37.24 2.14 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.491 1.785 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.704 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.58 -38.97 88.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.626 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.0 tt0 -70.78 -37.8 73.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 1.014 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 50.3 t30 -83.63 -21.33 32.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -99.12 -57.0 2.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.775 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 0.5 OUTLIER -70.05 -58.13 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.626 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -61.84 -10.6 9.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.642 179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 1.014 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -129.11 90.47 3.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.447 ' CH2' HG23 ' A' ' 164' ' ' THR . 3.0 m95 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.044 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 tpp . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.513 0.197 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.26 122.0 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.266 179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -177.04 72.12 0.23 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.584 1.177 . . . . 0.0 110.285 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.456 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -74.99 148.5 35.42 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.592 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -111.57 136.21 51.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.662 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -103.81 143.91 32.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.589 ' CG1' ' CD2' ' A' ' 62' ' ' LEU . 21.2 t -120.93 142.18 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -137.41 117.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.01 111.51 3.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.805 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.15 95.07 8.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.755 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 68' ' ' TYR . . . -113.02 -147.88 10.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 22' ' ' HIS . 2.8 m120 -136.92 118.73 11.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -75.0 130.51 13.34 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.523 1.801 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . 46.25 -170.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.415 1.072 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . 82.34 139.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 0.776 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.06 -8.03 34.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.56 1.163 . . . . 0.0 109.252 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.929 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -87.39 -16.76 34.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.997 179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . -74.28 -37.66 63.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -60.52 -52.64 64.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 17' ' ' TYR . 13.7 t -30.32 -36.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.407 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.692 ' NH1' ' CE1' ' A' ' 101' ' ' PHE . 0.5 OUTLIER 145.36 -3.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 12' ' ' ASN . 1.7 t-160 -65.43 8.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.617 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 21' ' ' ARG . 20.7 t-20 -118.39 21.78 12.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.967 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -49.74 -45.54 49.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -46.65 -60.66 4.7 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' CD2' ' OD2' ' A' ' 30' ' ' ASP . 21.2 t80 -77.55 -24.3 49.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 0.789 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG23 ' OD1' ' A' ' 23' ' ' ASN . 2.0 t -69.07 -42.03 81.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.661 ' HB ' HD11 ' A' ' 93' ' ' ILE . 3.0 t -74.6 -51.02 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.579 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -56.99 -34.51 68.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.155 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 34' ' ' ALA . 5.5 m-20 -67.82 -53.06 29.89 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.567 1.167 . . . . 0.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -50.69 -56.12 13.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 9.7 mt -60.15 -32.4 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 0.0 109.374 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.721 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -75.25 -24.51 57.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.386 1.054 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.34 -27.57 34.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.72 -42.94 14.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 1.1 mp -72.24 -43.66 64.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.07 -8.42 79.85 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.16 146.0 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 0.796 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.33 82.1 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.886 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 59.6 m-85 -61.45 -178.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -154.12 -167.96 2.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.79 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -174.01 140.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.504 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -133.18 -175.43 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.567 -179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.91 -175.77 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' CG ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER 48.89 -105.09 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.499 ' N ' ' CG ' ' A' ' 45' ' ' ARG . 74.4 m -106.79 45.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.026 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.504 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -114.12 -65.28 0.44 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 50.19 -177.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.79 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 2.7 tp10 -81.37 148.31 29.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.636 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 1.6 p 177.85 166.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.886 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -169.65 146.23 3.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.79 127.44 32.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.341 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -121.46 108.02 1.29 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.11 122.99 48.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 0.766 . . . . 0.0 110.273 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER 172.12 -163.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.07 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 43.65 27.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.434 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.39 42.05 99.73 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' SER . 0.5 OUTLIER 178.63 153.54 0.36 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 0.75 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.416 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 1.7 m -80.59 164.45 22.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.96 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.4 OUTLIER -161.56 117.88 2.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.618 HG11 HD11 ' A' ' 6' ' ' LEU . 79.2 t -100.33 103.83 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.636 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 1.9 tm? -91.7 114.96 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.256 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' CB ' ' HB ' ' A' ' 50' ' ' VAL . . . -126.48 174.14 8.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER 175.62 117.63 0.13 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.318 -179.915 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.01 -154.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.507 ' C ' ' N ' ' A' ' 68' ' ' TYR . 77.6 mmt-85 -80.73 -84.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.271 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.695 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -49.6 -16.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.167 . . . . 0.0 108.321 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.639 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.9 m-85 61.67 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.905 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.8 ' HA ' HD13 ' A' ' 10' ' ' LEU . 14.7 ttm -38.56 -94.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.685 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 8.3 t30 -59.36 -41.55 89.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.695 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 1.1 tp10 -50.66 -45.91 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.639 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.6 t -64.21 -47.32 80.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.972 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -45.61 -53.81 8.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.538 1.149 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 1.003 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.28 -49.32 13.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 110.351 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.587 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 12.7 mm-40 -47.6 -48.77 28.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.737 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.0 mm -67.2 -46.35 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.99 -69.3 0.1 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 1.003 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.93 -47.89 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -51.71 -40.8 60.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.737 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.27 -50.84 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.76 -16.76 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.712 ' N ' ' O ' ' A' ' 78' ' ' PRO . 5.8 t80 -75.31 -41.22 57.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.431 ' O ' HG23 ' A' ' 85' ' ' VAL . 5.3 m-85 -79.36 6.19 10.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.6 t 53.01 46.73 26.17 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.456 1.098 . . . . 0.0 110.046 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 83' ' ' TYR . 38.1 t -129.95 151.07 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.36 155.39 69.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.369 179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.3 Cg_endo -74.99 -13.42 21.44 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.512 1.796 . . . . 0.0 111.004 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.48 -10.44 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 32.7 m-20 -110.49 -1.96 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 87' ' ' PRO . 51.3 mt -95.69 136.1 27.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.534 ' CG2' ' CD ' ' A' ' 131' ' ' GLN . 0.8 OUTLIER -130.77 118.02 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.553 HG12 ' CG ' ' A' ' 132' ' ' ARG . 9.9 p -99.46 121.82 50.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.661 HD11 ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -101.48 146.33 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.936 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 1.021 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.6 t-160 -161.17 -179.68 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.574 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.475 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.5 p30 -112.61 139.68 48.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' HG13 ' A' ' 137' ' ' ILE . 13.6 t0 -144.79 150.09 36.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.477 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -80.61 103.39 10.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -98.7 -80.53 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.93 -76.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.416 ' OE2' ' N ' ' A' ' 101' ' ' PHE . 0.9 OUTLIER -86.94 165.08 16.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.692 ' CE1' ' NH1' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -93.92 37.02 1.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 111.028 179.947 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.51 ' HA3' ' CG ' ' A' ' 161' ' ' GLU . . . -166.0 51.24 0.26 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.588 1.18 . . . . 0.0 110.968 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.661 ' NE ' ' CD1' ' A' ' 191' ' ' TRP . 0.1 OUTLIER -135.88 173.2 11.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 0.791 . . . . 0.0 110.363 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.048 HG23 HD11 ' A' ' 165' ' ' ILE . 0.8 OUTLIER -123.44 159.06 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 134' ' ' ARG . 6.7 ttt180 -149.51 91.2 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.819 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.52 138.81 40.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.244 -179.927 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 4.8 mtpt -144.73 -179.65 6.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.097 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.76 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.2 tp -99.31 -95.85 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.76 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -133.67 58.27 0.69 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.502 1.127 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -143.24 56.15 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -161.12 -102.58 0.18 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER 63.34 -77.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 0.754 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 34.58 80.42 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 115' ' ' HIS . . . 82.22 -123.67 6.17 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.424 ' O ' ' O ' ' A' ' 114' ' ' GLY . 23.1 m80 51.23 101.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 0.737 . . . . 0.0 109.626 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -55.99 -31.29 62.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.932 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -69.67 -71.0 1.05 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.487 ' N ' HD23 ' A' ' 118' ' ' LEU . 5.9 mt -49.35 -42.37 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 0.779 . . . . 0.0 109.24 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' HG12 ' A' ' 122' ' ' VAL . 5.7 ttt180 -63.17 -48.09 79.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 4.0 t -57.62 -30.32 65.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.955 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.978 HG12 HD12 ' A' ' 125' ' ' LEU . 3.1 t -75.85 -39.78 38.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.744 HG23 ' CE2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -59.39 -45.79 93.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.943 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.422 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -75.26 -38.74 60.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.689 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -67.37 -50.46 59.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.978 HD12 HG12 ' A' ' 121' ' ' VAL . 17.7 mt -82.59 -21.62 35.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.722 ' O ' HG22 ' A' ' 127' ' ' THR . . . 73.77 9.63 79.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.136 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.722 HG22 ' O ' ' A' ' 126' ' ' GLY . 0.7 OUTLIER 62.87 136.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.782 . . . . 0.0 110.378 179.964 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 2.0 tmtt? -164.65 27.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.625 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 16.5 t0 93.78 22.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.744 ' CE2' HG23 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -54.86 170.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.37 1.044 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.534 ' CD ' ' CG2' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.89 161.75 33.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.647 ' NH2' ' CE1' ' A' ' 130' ' ' PHE . 0.1 OUTLIER -142.65 154.61 44.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.819 HG22 ' HB2' ' A' ' 106' ' ' LEU . 9.2 t -130.24 84.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 105' ' ' ARG . 5.2 mpp_? -83.72 161.86 20.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.021 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -112.87 148.73 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -95.21 102.15 2.81 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.575 1.172 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.802 HD12 ' O ' ' A' ' 137' ' ' ILE . 2.1 pp -126.32 75.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 0.798 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 139' ' ' ARG . . . -87.21 158.44 30.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.561 ' HB2' ' CD2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER 177.48 74.92 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 110.32 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.76 3.64 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.434 1.755 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -73.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.422 ' O ' ' HB2' ' A' ' 143' ' ' ARG . . . -170.88 36.45 0.17 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 142' ' ' GLY . 3.1 mtt180 70.64 2.41 4.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.563 0.802 . . . . 0.0 110.304 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -59.68 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.958 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -162.68 98.02 1.1 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.99 -51.45 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.09 90.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.958 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -60.06 -42.63 94.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.467 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 2.0 t80 -76.92 -21.18 55.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.655 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -74.35 -34.29 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.614 HD13 ' HE2' ' A' ' 17' ' ' TYR . 1.1 mp -110.33 45.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.553 ' C ' ' CG ' ' A' ' 153' ' ' ASN . 1.1 mm-40 -68.42 -103.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.591 ' C ' ' H ' ' A' ' 155' ' ' THR . 0.0 OUTLIER -177.23 45.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.644 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 0.7 OUTLIER -70.71 26.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.591 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.9 OUTLIER -30.11 -49.6 0.33 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.373 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.644 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.98 -62.69 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.519 1.8 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.574 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -51.09 -46.47 61.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.711 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.0 OUTLIER -72.09 -28.43 63.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -58.11 -46.04 86.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.733 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.4 -34.36 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.971 ' O ' HG22 ' A' ' 165' ' ' ILE . 1.8 tt0 -76.1 -37.11 58.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.8 t -53.08 -50.43 82.13 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -75.0 -28.79 8.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.602 HG22 ' N ' ' A' ' 165' ' ' ILE . 0.4 OUTLIER -61.92 -58.88 6.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.407 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.048 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -69.26 -53.41 25.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.241 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.714 ' N ' HD13 ' A' ' 165' ' ' ILE . 55.7 m -44.22 -45.92 8.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.06 -45.08 93.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.267 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.493 ' HB2' ' CH2' ' A' ' 191' ' ' TRP . 28.7 tp60 -66.79 -43.55 83.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.856 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -71.76 -39.32 70.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.366 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.22 -46.56 75.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 39.3 m-20 -67.75 -42.01 82.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.723 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -60.68 -39.54 88.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -63.65 -53.12 56.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 2.1 pt-20 -60.57 -41.87 95.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.425 1.078 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -69.8 -41.3 75.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.7 tt -51.97 -48.42 64.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.22 -24.92 15.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -56.88 -48.58 77.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.41 -72.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.427 1.08 . . . . 0.0 110.301 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.542 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -159.31 -169.89 23.2 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -90.65 -11.61 39.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.617 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -54.32 -44.88 99.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.02 -37.41 2.03 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.4 1.737 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.784 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.38 -44.85 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.602 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.5 tt0 -68.49 -35.9 78.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.375 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.763 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 24.4 t-20 -81.75 -22.1 37.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -103.29 -58.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.334 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.814 HG22 HD11 ' A' ' 104' ' ' ILE . 0.4 OUTLIER -62.94 -49.87 81.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.602 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.1 OUTLIER -75.01 9.05 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.915 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -137.64 89.1 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.661 ' CD1' ' NE ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mtp . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.507 0.194 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.15 137.46 46.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.17 68.74 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.588 1.18 . . . . 0.0 110.262 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.445 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 18.3 Cg_endo -75.05 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.454 1.765 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 1.0 OUTLIER -135.44 139.84 44.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.791 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -123.11 139.57 53.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.861 HG13 ' CG1' ' A' ' 91' ' ' ILE . 12.1 t -132.9 142.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -131.76 116.88 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.43 107.29 3.5 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.78 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -92.99 108.58 20.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.766 . . . . 0.0 109.34 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.59 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -125.1 -139.43 5.22 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.452 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.549 ' CG ' ' HB2' ' A' ' 18' ' ' ALA . 2.1 t-20 -135.56 126.63 17.19 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.47 0.747 . . . . 0.0 109.253 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.452 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.99 -39.04 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.497 1.788 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -68.01 -130.53 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.818 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -164.75 -48.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 0.705 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -43.64 -45.69 6.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.875 ' O ' HG22 ' A' ' 20' ' ' THR . 0.4 OUTLIER -90.5 -18.63 24.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.818 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -71.27 -25.0 62.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.493 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -52.13 -40.45 61.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.875 HG22 ' O ' ' A' ' 17' ' ' TYR . 4.4 t -76.81 25.19 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 110.446 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.828 ' NE ' HG21 ' A' ' 162' ' ' VAL . 8.8 mmt180 65.9 21.91 11.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 11' ' ' GLY . 8.8 t-160 -68.63 11.14 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.59 ' HA ' ' CA ' ' A' ' 11' ' ' GLY . 64.6 t30 -125.31 26.75 6.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD23 ' HB3' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -54.05 -46.53 71.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -47.91 -59.17 6.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 1.5 t80 -75.05 -25.76 58.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.8 t -70.36 -38.96 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.6 t -79.07 -51.49 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.062 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.66 -32.55 63.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 26' ' ' PHE . 3.3 m-20 -76.31 -56.8 4.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -46.04 -47.97 16.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.605 1.191 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.05 -47.74 76.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.584 1.177 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.783 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -60.38 -44.96 95.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.73 -39.99 78.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' NH1' HD12 ' A' ' 31' ' ' LEU . 8.8 mpt_? -72.84 -49.82 27.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -83.81 19.41 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 67.96 -56.86 0.39 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.783 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 68.79 145.43 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.17 82.35 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 1.04 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -138.45 -155.91 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -154.28 -165.53 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -121.78 126.06 47.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.531 ' HB2' HG11 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -59.86 110.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.634 179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.28 -41.2 63.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -46.19 89.77 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.848 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -73.93 -46.71 42.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 97.41 60.36 0.95 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.576 1.172 . . . . 0.0 111.042 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.562 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . 177.56 166.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.568 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 25.8 tp10 -71.9 150.68 43.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.577 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 21.6 m -146.04 114.38 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.04 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -118.13 107.99 14.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.815 HG22 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -99.34 126.4 45.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.79 -161.08 9.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -147.8 131.71 17.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.335 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.567 ' HB3' HD13 ' A' ' 177' ' ' ILE . 0.6 OUTLIER -179.3 -166.38 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 36.4 33.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' ARG . . . 59.5 54.97 33.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' GLY . 1.4 mmt-85 160.01 158.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 0.737 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.06 170.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 pp -151.36 122.75 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.815 HG22 HG22 ' A' ' 52' ' ' THR . 24.9 t -105.95 99.13 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.062 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -101.51 101.94 12.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -119.96 176.23 5.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.713 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 179.27 123.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.7 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.99 -160.24 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.513 ' C ' ' N ' ' A' ' 68' ' ' TYR . 53.1 mmt-85 -77.07 -83.09 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.602 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.47 -18.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.524 1.14 . . . . 0.0 108.33 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.7 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 19.9 m-85 59.53 -82.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.953 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.641 ' N ' HD13 ' A' ' 10' ' ' LEU . 1.3 ttm -37.29 -80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 0.0 111.031 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.646 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 47.9 m-20 -70.66 -45.26 65.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.602 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.4 OUTLIER -50.46 -37.81 40.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.685 ' N ' ' O ' ' A' ' 68' ' ' TYR . 92.6 p -70.47 -54.21 13.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.562 1.164 . . . . 0.0 110.015 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.868 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.9 -51.43 4.1 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.925 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.31 -53.62 7.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.331 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 14.7 tp60 -42.19 -49.45 4.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.868 HG22 HD21 ' A' ' 125' ' ' LEU . 20.1 mt -66.99 -46.49 84.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.487 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.04 -67.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.925 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -46.5 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.848 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.02 -40.76 64.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.748 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.86 -49.68 60.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -17.03 61.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.711 ' N ' ' O ' ' A' ' 78' ' ' PRO . 6.1 t80 -75.45 -44.62 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -81.82 -12.44 58.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.0 t 55.08 47.52 21.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.537 HG22 ' OD1' ' A' ' 89' ' ' ASN . 4.5 p -107.48 158.36 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.547 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -80.2 156.51 74.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.658 ' HB3' ' CD2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.03 -8.89 20.44 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.27 -16.12 62.99 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.791 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -108.76 0.17 20.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.667 ' CD1' HD22 ' A' ' 6' ' ' LEU . 4.6 mm -97.89 123.02 50.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.861 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -137.43 118.13 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.097 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 7.8 p -107.57 124.7 63.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.584 ' CD1' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -102.07 144.43 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.617 1.198 . . . . 0.0 109.234 -179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.768 ' O ' HD12 ' A' ' 135' ' ' ILE . 11.2 t-160 -156.5 -178.39 7.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.535 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.704 ' OD2' HD21 ' A' ' 97' ' ' LEU . 5.0 p-10 -109.14 141.24 41.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 109.271 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.51 ' O ' ' O ' ' A' ' 137' ' ' ILE . 2.4 t0 -107.62 95.41 5.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.994 ' HB2' HG22 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -79.08 5.02 12.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.22 -37.6 45.03 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -137.03 92.61 2.74 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.363 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.689 ' HA ' ' CA ' ' A' ' 137' ' ' ILE . 2.3 tm-20 -81.41 84.53 6.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.615 ' CE1' ' HB2' ' A' ' 99' ' ' LEU . 1.8 m-85 -107.06 -12.62 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 136' ' ' GLY . . . 79.22 32.29 39.51 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.434 1.084 . . . . 0.0 110.977 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.765 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp180 -124.15 -179.44 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 0.813 . . . . 0.0 110.245 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.828 HG23 HD11 ' A' ' 165' ' ' ILE . 1.0 OUTLIER -109.1 160.61 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 109.36 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -150.0 109.26 3.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.839 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -121.54 130.26 53.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.3 179.945 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -149.4 178.04 9.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.546 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.1 OUTLIER -111.32 -55.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.546 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -79.0 -72.31 1.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 55.24 -93.58 0.02 OUTLIER Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . 135.62 60.53 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.523 ' O ' HD12 ' A' ' 118' ' ' LEU . 13.6 mt-10 64.43 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 0.774 . . . . 0.0 110.258 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . 92.19 50.23 2.66 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 52.19 71.04 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.425 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 25.5 m-70 -155.17 109.22 2.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 109.565 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.72 -28.56 65.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -67.04 -56.15 13.59 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.751 ' O ' HG12 ' A' ' 121' ' ' VAL . 3.5 mt -56.81 -52.43 65.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 0.746 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.447 ' O ' HG12 ' A' ' 122' ' ' VAL . 2.6 ttt-85 -59.02 -32.14 69.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.493 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 14.8 t -73.47 -27.78 61.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.03 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.868 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.7 -43.15 70.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.884 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -65.77 -47.23 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.461 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -66.82 -37.96 85.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -75.7 -27.84 58.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.868 HD21 HG22 ' A' ' 76' ' ' ILE . 15.6 mt -85.01 -23.63 28.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.12 3.0 55.34 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.466 1.103 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.884 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -119.59 -157.25 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 110.372 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -177.16 62.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.469 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 13.2 m-20 -143.5 14.73 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.767 ' CZ ' HD13 ' A' ' 125' ' ' LEU . 39.0 m-85 -86.69 152.15 22.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.646 ' NE2' HG22 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -101.08 162.81 12.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 131' ' ' GLN . 0.0 OUTLIER -143.43 150.12 38.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.366 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.786 HG22 ' HB2' ' A' ' 106' ' ' LEU . 24.4 t -123.44 85.6 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -90.99 144.21 25.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.275 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.6 mp -104.59 147.53 10.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 102' ' ' GLY . . . -89.0 97.34 2.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.689 ' CA ' ' HA ' ' A' ' 100' ' ' GLU . 1.8 pp -147.07 -164.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.562 ' C ' ' HB2' ' A' ' 100' ' ' GLU . . . 110.19 -120.21 5.58 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.606 ' NE ' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER -161.81 139.7 6.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.46 ' HD2' ' CD ' ' A' ' 139' ' ' ARG . 18.2 Cg_endo -75.05 112.95 3.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.758 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.544 ' HA ' ' CD2' ' A' ' 149' ' ' PHE . 18.0 Cg_endo -75.03 -161.54 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.529 1.804 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 143' ' ' ARG . . . 171.38 86.15 0.06 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 0.0 111.043 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 142' ' ' GLY . 0.1 OUTLIER 35.27 45.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.725 . . . . 0.0 110.225 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 145' ' ' ASP . 14.1 ttmt -135.39 -111.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.645 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 42.0 m-20 -114.56 103.55 54.86 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.491 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.2 Cg_endo -75.11 -40.28 0.92 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.62 -44.53 64.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.645 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -59.08 -40.49 85.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.606 ' CE2' ' NE ' ' A' ' 139' ' ' ARG . 1.3 m-85 -78.63 -24.37 45.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.994 HG22 ' HB2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -66.14 -43.62 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.854 HD22 ' CD2' ' A' ' 17' ' ' TYR . 1.9 mt -112.12 36.98 3.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.222 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 0.4 OUTLIER -53.93 -89.26 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.638 ' C ' ' H ' ' A' ' 155' ' ' THR . 15.2 t30 154.03 49.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.867 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -67.56 26.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.638 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -33.57 -47.14 0.64 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 -179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.683 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -74.99 -62.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.53 1.805 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.867 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -50.54 -47.52 57.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.721 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.8 mt-10 -70.84 -29.08 65.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.021 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -57.84 -45.58 86.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.215 -179.935 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.677 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.17 -36.35 61.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.872 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.7 mm-40 -75.49 -36.84 60.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.828 HG21 ' NE ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -51.1 -53.04 52.78 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.021 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -26.65 10.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.619 HG23 ' CH2' ' A' ' 191' ' ' TRP . 0.4 OUTLIER -62.59 -58.31 8.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.377 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -72.41 -54.35 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.601 ' O ' ' HB2' ' A' ' 170' ' ' ALA . 68.8 m -42.8 -44.73 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 108.239 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 0.9 OUTLIER -66.52 -45.57 79.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.442 1.089 . . . . 0.0 110.344 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.513 ' HG2' ' CD2' ' A' ' 191' ' ' TRP . 10.6 tp60 -65.85 -45.02 83.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.767 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -71.28 -38.4 71.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.09 -47.26 75.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -67.57 -41.96 83.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.591 1.182 . . . . 0.0 109.366 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.643 ' HB2' HG23 ' A' ' 188' ' ' VAL . . . -62.2 -38.42 89.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 m -63.92 -52.18 61.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 110.377 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.515 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.7 OUTLIER -58.11 -47.8 82.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.33 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.515 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -62.78 -36.23 82.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.655 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.5 tt -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 55' ' ' SER . 65.2 mt -65.05 -30.96 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.389 1.056 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.473 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -57.02 -66.08 0.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.563 1.164 . . . . 0.0 110.246 -179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.63 -75.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -157.87 -174.9 28.17 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.433 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 19.7 ptp -90.61 -9.94 45.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 0.778 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.632 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 7.7 mm-40 -53.37 -43.74 96.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -75.01 -36.83 2.31 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.535 1.808 . . . . 0.0 110.969 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.745 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.66 -45.4 90.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.5 tt0 -68.54 -36.31 78.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.96 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.98 -22.95 36.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.571 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.6 ttt180 -100.44 -58.72 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.745 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -64.86 -48.81 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -79.5 17.67 0.83 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.66 179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.96 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -103.41 -42.37 5.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CH2' HG23 ' A' ' 164' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtt . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.499 0.19 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . . . -114.14 168.72 9.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -166.18 81.94 1.03 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.233 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.509 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.01 140.63 25.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.831 HD23 ' OD1' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -106.49 136.67 45.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.934 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.64 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -104.58 143.51 32.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 91' ' ' ILE . 2.8 m -132.61 141.32 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.814 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -129.92 123.0 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -98.64 113.17 4.65 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.839 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.48 103.04 15.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 0.765 . . . . 0.0 109.241 -179.899 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.486 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.27 -149.47 10.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 22' ' ' HIS . 12.1 t-20 -137.45 117.8 10.5 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.533 0.784 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.433 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -74.94 -1.66 11.49 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.51 -138.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.479 1.112 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -160.48 -86.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.396 0.703 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -51.49 -21.88 2.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.986 ' O ' HG22 ' A' ' 20' ' ' THR . 0.1 OUTLIER -99.45 -23.37 15.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.64 -25.34 62.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.366 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.442 ' HB3' ' ND2' ' A' ' 153' ' ' ASN . 1.5 tpt180 -68.46 -25.01 64.78 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.986 HG22 ' O ' ' A' ' 17' ' ' TYR . 6.3 t -72.28 7.22 1.84 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.558 1.161 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.624 ' HB3' HD13 ' A' ' 24' ' ' LEU . 0.0 OUTLIER 85.39 11.92 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.451 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -69.55 11.66 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.666 179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.629 ' HB3' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -124.85 18.73 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.104 HD23 HD13 ' A' ' 135' ' ' ILE . 1.2 tp -40.0 -46.72 2.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.544 1.153 . . . . 0.0 109.352 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' HG12 ' A' ' 28' ' ' VAL . . . -52.16 -59.55 8.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -75.32 -20.19 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.629 HG23 ' HB3' ' A' ' 23' ' ' ASN . 1.9 t -76.11 -39.09 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.597 1.186 . . . . 0.0 109.251 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.521 HG11 ' CD1' ' A' ' 93' ' ' ILE . 4.2 p -80.16 -37.37 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.013 ' CB ' HD11 ' A' ' 62' ' ' LEU . . . -69.18 -35.15 75.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.578 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 11.9 t0 -74.32 -44.56 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.572 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -56.73 -51.27 69.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mt -58.16 -59.27 5.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.27 -21.17 61.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 109.231 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -78.13 -29.63 48.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -96.67 -44.46 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 110.258 -179.967 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -32.97 72.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.55 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 89.25 -3.35 84.11 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.422 1.076 . . . . 0.0 110.996 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . -42.34 172.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 0.72 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.72 69.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.582 1.177 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.792 ' HB3' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -62.13 -169.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 111.01 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' O ' ' OE1' ' A' ' 49' ' ' GLU . 0.8 OUTLIER -125.62 176.6 6.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.646 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -130.34 140.99 50.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 48' ' ' ALA . 49.2 t60 71.66 -75.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.597 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 68.77 -77.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -149.51 -66.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.976 ' CB ' HD11 ' A' ' 79' ' ' LEU . 13.9 t -50.23 -26.64 4.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.036 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.59 56.64 1.02 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.586 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -167.87 176.0 6.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.548 0.793 . . . . 0.0 109.255 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.693 ' HB3' ' CE2' ' A' ' 40' ' ' PHE . 2.3 mm-40 -89.81 149.36 22.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.284 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.809 HG12 ' HB2' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -146.41 115.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 40' ' ' PHE . . . -106.9 106.6 17.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.827 HG22 HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -99.76 122.55 42.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.432 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.73 -162.24 10.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.1 . . . . 0.0 110.971 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 1.5 mtt180 -154.02 113.65 3.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 5.3 m -143.41 -178.41 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.946 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.705 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 44.21 25.57 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.2 50.59 38.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.58 1.175 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 2' ' ' ALA . 0.3 OUTLIER 176.13 156.83 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.737 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.468 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 1.5 m -69.22 163.81 24.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.182 . . . . 0.0 109.93 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.6 pp -154.68 121.77 5.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.827 HG22 HG22 ' A' ' 52' ' ' THR . 77.7 t -109.23 93.48 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.013 HD11 ' CB ' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -92.46 109.21 20.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -120.4 171.09 8.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.619 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -177.01 120.41 0.27 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.636 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.04 -156.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.991 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 22.2 mmt85 -83.4 -86.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -45.79 -20.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.299 -179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.75 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.8 m-85 62.92 -78.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.767 ' CA ' HD13 ' A' ' 10' ' ' LEU . 57.4 ttp -35.76 -95.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.453 ' N ' ' HG2' ' A' ' 69' ' ' MET . 7.9 m120 -63.62 -32.27 73.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.577 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.0 OUTLIER -59.2 -42.11 90.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.212 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.75 ' N ' ' O ' ' A' ' 68' ' ' TYR . 36.3 t -69.67 -52.41 26.01 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.597 1.186 . . . . 0.0 109.954 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.975 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.81 -52.97 14.77 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.36 -45.47 54.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.577 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 6.7 tp60 -45.02 -49.22 11.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.726 ' O ' ' N ' ' A' ' 80' ' ' ALA . 15.8 mm -68.63 -47.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -27.85 -68.08 0.07 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -74.93 -46.73 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.976 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.37 -40.46 62.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.726 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.64 -49.39 59.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -16.87 59.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.793 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.6 t80 -77.64 -43.17 32.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.771 ' HB3' HG23 ' A' ' 85' ' ' VAL . 12.1 m-85 -84.95 -16.71 40.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 111.054 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t 51.27 45.78 27.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.444 1.09 . . . . 0.0 109.975 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.771 HG23 ' HB3' ' A' ' 83' ' ' TYR . 84.7 t -101.11 173.51 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.646 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -73.04 123.96 90.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.329 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.804 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.3 Cg_endo -75.04 -13.03 21.44 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.27 0.87 15.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.831 ' OD1' HD23 ' A' ' 5' ' ' LEU . 7.2 m-20 -113.28 -11.74 13.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 87' ' ' PRO . 13.8 mt -90.71 133.53 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.963 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -137.28 142.88 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.814 HG22 ' CG2' ' A' ' 8' ' ' VAL . 23.1 t -119.44 127.68 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.637 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.0 OUTLIER -110.7 142.3 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.251 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.725 ' O ' HD12 ' A' ' 135' ' ' ILE . 10.3 t-160 -158.05 176.95 11.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 109.623 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.601 ' CB ' HD22 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -100.37 142.11 32.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 137' ' ' ILE . 8.7 t0 -148.2 150.7 34.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.88 115.01 22.53 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.445 ' C ' HD12 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -114.37 -84.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.372 179.924 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 98' ' ' ASP . 5.0 mp -137.45 -70.72 0.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.4 tm-20 -86.03 164.49 17.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.601 1.188 . . . . 0.0 110.369 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.581 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -94.82 22.48 6.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.432 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -155.08 54.62 0.42 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.823 ' O ' HG23 ' A' ' 135' ' ' ILE . 5.0 tmm_? -134.61 156.33 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.005 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.3 pp -122.3 156.96 27.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 134' ' ' ARG . 16.1 ttt180 -146.17 113.15 6.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.818 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -113.1 132.9 55.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.45 -179.74 5.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.795 HD12 ' C ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -112.73 -83.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.478 ' N ' HG13 ' A' ' 108' ' ' ILE . . . -94.05 -81.22 1.51 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' GLY . . . -36.4 140.49 0.25 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 131.14 -162.06 23.57 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 132' ' ' ARG . 3.6 tm-20 62.68 81.08 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.47 -81.61 0.92 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.12 67.86 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.37 129.35 49.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.567 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -37.6 74.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.721 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -63.99 -64.53 3.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.538 1.149 . . . . 0.0 111.032 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.443 HD11 ' HG2' ' A' ' 134' ' ' ARG . 10.5 mt -53.01 -45.18 67.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 122' ' ' VAL . 6.1 ttt180 -64.74 -34.8 79.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 30.2 t -64.82 -36.64 84.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 1.002 HG12 HD12 ' A' ' 125' ' ' LEU . 5.8 t -74.51 -39.48 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.545 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.4 OUTLIER -63.35 -47.42 92.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.21 -41.66 73.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.681 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -63.69 -46.12 86.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.002 HD12 HG12 ' A' ' 121' ' ' VAL . 13.3 mt -79.4 -21.91 45.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 127' ' ' THR . . . 71.13 12.87 72.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.67 ' HA ' ' CZ ' ' A' ' 130' ' ' PHE . 0.6 OUTLIER 89.13 120.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 110.398 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.594 ' HB3' ' CG ' ' A' ' 87' ' ' PRO . 23.1 mmtt -152.88 19.29 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.76 ' O ' HD11 ' A' ' 108' ' ' ILE . 1.1 m-20 63.02 23.46 14.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 1.202 . . . . 0.0 109.335 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.791 ' HD2' HD13 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -48.36 -176.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.588 ' OE1' HG22 ' A' ' 91' ' ' ILE . 83.7 mt-30 -116.26 155.87 27.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.34 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -141.38 147.94 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 110.257 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.818 HG22 ' HB2' ' A' ' 106' ' ' LEU . 18.8 t -140.24 83.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -91.13 144.2 25.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.104 HD13 HD23 ' A' ' 24' ' ' LEU . 2.7 mp -94.29 148.91 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 98' ' ' ASP . . . -99.47 91.53 1.06 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 137' ' ' ILE . 1.8 pp -110.76 77.42 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 0.765 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -87.73 -112.86 1.05 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.128 . . . . 0.0 111.006 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.531 ' O ' ' CE1' ' A' ' 149' ' ' PHE . 0.0 OUTLIER 66.69 57.49 0.94 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.552 0.796 . . . . 0.0 110.24 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.526 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.5 Cg_endo -75.01 163.57 35.06 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -52.2 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.482 1.78 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 143' ' ' ARG . . . 168.09 44.84 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.557 1.161 . . . . 0.0 111.046 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 142' ' ' GLY . 0.3 OUTLIER 79.33 6.9 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 0.797 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.504 ' CD ' ' OD2' ' A' ' 145' ' ' ASP . 1.4 ttmt -75.17 -81.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.645 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 31.3 m-20 -131.89 102.63 14.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.2 Cg_endo -75.01 -40.67 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.475 1.776 . . . . 0.0 110.95 -179.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.46 -45.52 62.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.645 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -56.86 -39.71 74.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.548 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 1.5 t80 -75.79 -35.13 60.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.587 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -60.22 -33.73 54.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.663 HD13 ' HE1' ' A' ' 17' ' ' TYR . 28.4 mt -91.0 30.91 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.717 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.3 mm-40 -52.92 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.342 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.717 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 10.8 t-20 134.91 46.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.128 . . . . 0.0 109.362 179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.869 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -69.99 33.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.986 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.824 HG23 ' HD3' ' A' ' 156' ' ' PRO . 0.1 OUTLIER -16.28 -52.44 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.488 179.933 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.824 ' HD3' HG23 ' A' ' 155' ' ' THR . 18.5 Cg_endo -75.07 -76.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.869 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -44.85 -36.68 3.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.686 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.7 mt-10 -77.88 -31.51 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.237 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -57.86 -44.0 86.31 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.692 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -80.48 -33.63 36.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.591 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 2.9 tp10 -75.62 -34.87 60.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.224 180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.686 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.9 t -58.1 -51.94 78.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -74.97 -24.63 12.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.539 1.81 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.591 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 0.6 OUTLIER -59.89 -57.77 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.942 ' CG1' HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -76.86 -45.05 32.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.872 ' N ' HD13 ' A' ' 165' ' ' ILE . 31.6 m -48.8 -45.44 40.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.262 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -69.38 -44.95 70.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.257 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.619 ' CD ' ' CH2' ' A' ' 191' ' ' TRP . 0.2 OUTLIER -61.88 -41.81 98.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.22 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 1.005 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.63 -42.15 78.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.25 -41.77 72.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.512 1.132 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -67.81 -44.89 76.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.094 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -57.75 -42.95 85.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.5 m -64.6 -52.25 58.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 110.418 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.486 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.48 -46.38 83.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.486 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.4 OUTLIER -65.96 -37.38 85.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.248 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.633 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.4 tt -54.27 -49.86 68.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 -179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.705 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 15.3 mt -73.91 -25.09 20.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -68.85 -29.68 68.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.4 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.43 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -162.95 174.59 39.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.45 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -88.06 -19.08 27.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 0.775 . . . . 0.0 110.999 179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -45.73 -49.25 37.49 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.552 1.158 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.9 -40.2 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 111.074 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -63.87 -35.76 81.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.235 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.8 tt0 -72.47 -41.41 66.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.671 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 24.1 t-20 -78.34 -20.28 51.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.13 . . . . 0.0 109.223 -179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.464 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.75 -51.93 4.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.094 HG21 ' HB2' ' A' ' 172' ' ' ALA . 15.7 t -89.36 -57.96 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.3 t-80 -68.46 24.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.634 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.683 ' H ' ' C ' ' A' ' 188' ' ' VAL . . . -136.57 66.91 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CH2' ' CD ' ' A' ' 168' ' ' GLN . 10.6 m95 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 108.008 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.482 0.182 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.25 127.23 2.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -176.49 86.19 0.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.16 . . . . 0.0 110.318 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.433 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.0 -174.44 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.539 1.81 . . . . 0.0 111.05 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -133.76 140.76 47.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.711 HD23 ' N ' ' A' ' 7' ' ' VAL . 4.5 tt -106.68 144.74 32.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.783 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -128.19 140.91 47.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.774 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -132.66 124.74 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.429 1.081 . . . . 0.0 109.271 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.34 115.29 5.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.132 . . . . 0.0 111.038 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.845 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -102.01 100.01 10.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -125.42 -148.56 7.28 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.453 1.096 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' HIS . 3.5 m-20 -134.99 127.5 18.25 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.98 -3.06 13.37 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.89 -152.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -153.64 -77.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.779 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -51.87 -32.31 31.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 1.087 ' CD1' HD11 ' A' ' 151' ' ' LEU . 0.6 OUTLIER -92.42 -20.51 20.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -73.07 -39.78 65.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' A' ' 21' ' ' ARG . 35.3 mmt-85 -42.42 -27.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 1.048 HG21 HD13 ' A' ' 151' ' ' LEU . 14.2 p -77.19 25.9 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.64 HH21 HG21 ' A' ' 27' ' ' VAL . 8.9 mmp_? 66.94 10.68 7.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -62.57 4.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.592 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.674 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.9 t-20 -125.75 33.73 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.9 HD13 HD13 ' A' ' 135' ' ' ILE . 4.4 mt -62.6 -42.46 99.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.508 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -55.44 -47.05 78.43 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.534 1.146 . . . . 0.0 111.057 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.609 ' CE1' ' OE1' ' A' ' 49' ' ' GLU . 10.7 t80 -83.0 -25.24 32.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 0.717 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 23' ' ' ASN . 17.0 t -76.59 -40.64 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.633 HG22 ' SG ' ' A' ' 166' ' ' CYS . 61.5 t -80.04 -36.8 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . . . -64.68 -44.52 90.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.613 1.195 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 26.6 t0 -70.29 -43.24 70.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.255 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.717 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -55.15 -51.64 65.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.609 1.193 . . . . 0.0 109.305 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -57.1 -61.03 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.474 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -59.68 -19.95 52.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -80.1 -28.66 39.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -97.81 -42.53 7.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 55' ' ' SER . 0.3 OUTLIER -64.35 -164.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.99 27.61 19.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 51' ' ' ALA . . . -99.47 118.43 36.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 0.739 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.29 48.43 2.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.588 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 2.0 t80 -79.62 -112.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.588 ' CG ' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER 157.59 -160.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -108.21 151.09 26.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -129.57 169.67 14.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -66.09 -149.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.526 ' O ' ' N ' ' A' ' 47' ' ' GLY . 15.6 mtp85 -34.2 149.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.479 ' C ' HD11 ' A' ' 79' ' ' LEU . 15.8 m 35.84 30.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.984 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -115.85 -69.81 0.45 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.842 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 46.72 -172.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.747 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.609 ' OE1' ' CE1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -71.69 135.67 46.93 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.654 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 40.5 t -154.18 158.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.63 1.206 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.545 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -164.21 109.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.963 HG22 HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -93.96 126.81 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.419 179.958 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -137.17 -162.85 9.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.481 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 1.1 mtp-105 -154.54 131.13 10.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.226 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.891 ' HB3' HD11 ' A' ' 36' ' ' LEU . 5.7 p -163.43 -178.12 5.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.942 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 174' ' ' GLU . . . 41.46 27.46 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.453 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.33 52.17 42.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.596 1.185 . . . . 0.0 111.013 -179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 55' ' ' SER . 2.1 mmt-85 178.37 154.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 0.78 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.428 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 3.2 m -77.24 162.68 27.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 110.008 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 55' ' ' SER . 3.6 pp -149.15 126.99 11.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.963 HG22 HG22 ' A' ' 52' ' ' THR . 14.5 t -107.33 106.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.693 HD22 ' HB ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -99.26 127.0 45.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.211 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.538 ' CB ' HG22 ' A' ' 50' ' ' VAL . . . -143.28 162.72 34.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' CD ' ' C ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 177.66 122.74 0.18 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.842 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.08 -158.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.974 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.576 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 12.3 mmt85 -78.2 -81.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.588 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -46.96 -22.59 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 108.265 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.889 ' O ' ' N ' ' A' ' 72' ' ' SER . 26.2 m-85 60.95 -86.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.845 ' HA ' HD13 ' A' ' 10' ' ' LEU . 4.0 ttt -28.29 -81.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.617 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 1.0 OUTLIER -71.88 -48.88 42.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.257 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.588 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 8.6 tt0 -51.34 -35.56 38.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.889 ' N ' ' O ' ' A' ' 68' ' ' TYR . 84.4 p -70.59 -56.49 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.056 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.863 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -42.33 -48.84 5.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.959 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.81 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 0.771 . . . . 0.0 110.307 -179.934 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.573 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.2 tp60 -38.9 -50.49 1.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.741 ' O ' ' N ' ' A' ' 80' ' ' ALA . 18.8 mt -66.02 -43.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -33.35 -70.58 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.0 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.959 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -75.03 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.594 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.22 -40.22 61.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.904 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -68.06 -50.89 52.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -15.92 61.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.387 1.054 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.687 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.3 t80 -76.1 -44.27 39.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.529 ' HB3' HG23 ' A' ' 85' ' ' VAL . 11.8 m-85 -82.26 -12.15 58.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.074 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.2 t 58.14 54.62 5.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.483 1.114 . . . . 0.0 110.048 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.529 HG23 ' HB3' ' A' ' 83' ' ' TYR . 46.1 t -104.87 167.95 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.527 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -88.64 154.16 50.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.497 ' CG ' ' HB2' ' A' ' 129' ' ' ASP . 18.3 Cg_endo -75.07 -24.73 12.43 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.63 1.7 18.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.57 ' O ' ' N ' ' A' ' 6' ' ' LEU . 68.6 m-20 -111.61 -24.32 10.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.3 tt -88.98 135.81 24.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.346 179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.783 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -136.63 141.0 42.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.774 HG22 ' CG2' ' A' ' 8' ' ' VAL . 24.9 t -117.88 130.68 72.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.774 HG22 ' HB ' ' A' ' 133' ' ' VAL . 2.1 pt -110.36 148.02 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.363 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.605 ' O ' HD12 ' A' ' 135' ' ' ILE . 6.5 t-160 -155.4 170.78 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.625 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.868 ' HB2' HD12 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -98.64 146.06 26.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.649 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.7 OUTLIER -159.06 157.99 32.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.951 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.04 HD12 ' O ' ' A' ' 139' ' ' ARG . 1.0 OUTLIER -99.16 101.4 12.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 138' ' ' GLY . 85.7 m-20 -88.72 -74.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.522 ' O ' ' C ' ' A' ' 138' ' ' GLY . 0.3 OUTLIER -135.47 -79.66 0.43 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLY . 2.2 tm-20 -92.19 170.75 9.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.083 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.617 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -91.94 70.83 5.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.581 ' O ' ' CZ2' ' A' ' 191' ' ' TRP . . . 161.67 48.55 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.117 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.736 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -136.52 163.15 31.18 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.465 0.744 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 1.06 HG23 HD11 ' A' ' 165' ' ' ILE . 0.8 OUTLIER -122.14 165.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.607 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -149.51 103.56 3.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.963 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.796 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.28 140.3 37.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -159.1 173.07 16.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.374 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.515 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -108.18 -54.59 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.515 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -82.27 -67.53 1.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 62.39 -143.47 48.67 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -99.14 -63.87 0.84 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 113' ' ' GLY . 1.5 tt0 68.24 -63.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 0.735 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 111' ' ' GLY . . . -36.38 -65.29 0.53 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.095 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.8 -45.34 93.61 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.409 ' O ' ' CB ' ' A' ' 119' ' ' ARG . 0.1 OUTLIER -61.25 122.61 15.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 109.541 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -71.37 -45.76 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.41 -61.38 7.16 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.947 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.734 HD13 ' HD3' ' A' ' 132' ' ' ARG . 11.5 mt -53.37 -46.89 69.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 0.728 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 4.6 ttt180 -58.81 -35.31 72.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.231 -179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -69.15 -35.11 76.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.863 HG22 ' HA2' ' A' ' 73' ' ' GLY . 27.2 t -65.92 -44.11 92.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.788 HG13 ' O ' ' A' ' 127' ' ' THR . 38.5 t -71.13 -30.51 41.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.84 -39.5 56.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -72.74 -44.5 61.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.09 HD13 ' CE1' ' A' ' 130' ' ' PHE . 13.3 mt -79.74 -24.31 41.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 64.93 5.93 21.93 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.409 1.068 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.788 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.2 OUTLIER -98.39 -152.04 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 0.745 . . . . 0.0 110.411 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -179.6 49.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.497 ' HB2' ' CG ' ' A' ' 87' ' ' PRO . 0.9 OUTLIER -132.57 -0.85 3.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 1.09 ' CE1' HD13 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -66.63 156.03 36.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.449 ' OE1' HG22 ' A' ' 91' ' ' ILE . 29.1 mt-30 -100.53 159.79 14.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.734 ' HD3' HD13 ' A' ' 118' ' ' LEU . 12.0 mtt-85 -133.34 149.99 51.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.234 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.774 ' HB ' HG22 ' A' ' 93' ' ' ILE . 2.3 t -144.14 81.39 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.607 ' O ' ' N ' ' A' ' 105' ' ' ARG . 6.9 mtp180 -86.43 145.19 26.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.9 HD13 HD13 ' A' ' 24' ' ' LEU . 3.4 mt -96.36 150.58 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 96' ' ' ASP . . . -109.79 102.52 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.06 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.649 ' N ' ' O ' ' A' ' 96' ' ' ASP . 1.7 pp -119.45 82.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.746 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . 104.47 171.87 24.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.548 1.155 . . . . 0.0 110.954 179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 1.04 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -72.96 170.59 13.01 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.329 -179.991 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 98' ' ' ASP . 18.2 Cg_endo -75.06 174.18 13.24 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.582 1.833 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.43 ' HB3' ' CB ' ' A' ' 146' ' ' PRO . 18.4 Cg_endo -74.94 158.75 42.24 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.421 1.748 . . . . 0.0 111.054 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -178.67 -44.56 0.07 OUTLIER Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.728 ' O ' ' N ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -173.44 -149.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 0.728 . . . . 0.0 110.237 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 145' ' ' ASP . 1.4 ttmt 54.46 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.749 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 19.4 p30 167.25 94.16 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.43 ' CB ' ' HB3' ' A' ' 141' ' ' PRO . 18.5 Cg_endo -74.91 -52.79 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.26 78.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.749 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -62.47 -42.97 99.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.44 -26.18 67.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.606 HG12 HD23 ' A' ' 151' ' ' LEU . 0.4 OUTLIER -81.71 -30.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 1.087 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.8 mm? -97.9 39.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.726 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 39.4 tt0 -61.35 -102.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.726 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 18.6 t30 132.4 45.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.864 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -72.67 28.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.605 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -19.99 -52.51 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.418 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.73 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.96 -72.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.498 1.789 . . . . 0.0 111.039 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.864 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.42 -39.86 11.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.717 ' O ' ' N ' ' A' ' 162' ' ' VAL . 2.4 mm-40 -75.17 -30.42 60.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 179.916 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.999 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -58.6 -46.4 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.759 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.36 -34.9 58.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 1.008 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.1 mm-40 -76.23 -37.46 57.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.717 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.0 t -51.67 -49.36 83.51 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.999 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.7 Cg_endo -74.94 -30.46 7.25 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.548 1.815 . . . . 0.0 111.007 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.456 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 42.7 m -62.73 -59.04 5.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.396 -179.943 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.06 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -66.5 -53.27 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.838 ' N ' HD13 ' A' ' 165' ' ' ILE . 50.9 m -44.9 -49.36 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.432 1.082 . . . . 0.0 108.267 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.95 -47.02 84.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.52 ' HB3' HG13 ' A' ' 188' ' ' VAL . 11.1 mm100 -61.36 -47.36 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 1.032 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -55.91 -44.66 78.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.8 OUTLIER -68.1 -47.21 68.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 -179.951 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.057 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -58.8 -44.97 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.2 m -60.66 -50.68 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.488 ' HA ' ' HB2' ' A' ' 56' ' ' ALA . 2.2 pt-20 -62.83 -40.19 96.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -44.92 79.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 181' ' ' MET . 7.4 tp -52.16 -53.8 38.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.28 -26.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 179' ' ' GLN . 1.2 tt0 -57.14 -63.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.34 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . 0.532 ' CB ' ' O ' ' A' ' 178' ' ' GLU . 2.6 mt-30 157.92 28.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.19 125.18 1.73 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.485 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 0.0 OUTLIER -117.17 -28.64 6.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 0.709 . . . . 0.0 111.042 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.72 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.5 mt-10 -68.72 -37.73 10.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.3 Cg_endo -74.96 -39.27 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.779 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.84 -38.26 90.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 0.5 OUTLIER -70.87 -39.86 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.344 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 1.032 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 31.5 m-20 -82.11 -21.87 36.5 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -91.16 -53.51 4.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 -179.97 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.057 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 50.4 t -86.44 -55.36 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.588 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -72.6 22.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 1.032 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -84.32 -50.35 7.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.248 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.581 ' CZ2' ' O ' ' A' ' 102' ' ' GLY . 1.2 p-90 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 107.963 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.488 0.185 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.84 147.58 29.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 3.0 pt-20 -178.64 76.82 0.21 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.59 8.39 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.465 1.771 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.559 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.9 OUTLIER -133.39 138.37 46.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.967 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.693 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -114.25 140.69 48.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.592 1.183 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.841 HG13 ' CG1' ' A' ' 91' ' ' ILE . 14.9 t -130.44 144.8 36.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.785 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.44 121.27 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.02 118.23 5.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -94.73 108.34 20.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 0.753 . . . . 0.0 109.342 179.962 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.437 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -124.54 -157.21 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.438 1.086 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.599 ' OD1' ' CD2' ' A' ' 22' ' ' HIS . 1.3 m120 -133.72 120.46 15.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 109.245 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.04 -12.0 21.42 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.422 1.748 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -57.87 -121.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.418 1.074 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.75 -74.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 0.83 . . . . 0.0 109.235 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.2 -38.62 18.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.929 ' O ' HG22 ' A' ' 20' ' ' THR . 1.0 OUTLIER -89.05 -21.89 23.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.86 -41.58 67.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' C ' ' H ' ' A' ' 21' ' ' ARG . 0.3 OUTLIER -54.42 -27.68 38.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.127 . . . . 0.0 110.279 -179.925 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.929 HG22 ' O ' ' A' ' 17' ' ' TYR . 1.6 t -75.71 19.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.47 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.594 ' C ' ' H ' ' A' ' 23' ' ' ASN . 1.8 mtt180 76.81 5.65 3.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.599 ' CD2' ' OD1' ' A' ' 12' ' ' ASN . 13.4 t-160 -64.56 5.42 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.569 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 21' ' ' ARG . 32.9 t30 -122.65 23.02 9.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.751 HD13 HD13 ' A' ' 135' ' ' ILE . 3.3 mt -47.87 -43.13 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.717 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -51.14 -59.41 8.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.408 1.067 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 24.6 t80 -76.78 -23.62 52.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.947 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' ASN . 2.5 t -72.25 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 t -77.07 -54.77 12.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.06 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -54.19 -36.07 63.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' A' ' 34' ' ' ALA . 35.1 m-20 -68.65 -53.38 22.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -43.37 -53.18 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.242 -179.892 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 5.7 mt -59.45 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.363 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.716 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -62.56 -24.63 67.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.564 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.95 -32.43 57.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.59 -43.47 11.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.31 19.42 2.29 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.113 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 36.36 29.76 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.716 ' HB3' ' HB1' ' A' ' 33' ' ' ALA . . . -38.71 149.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.413 0.714 . . . . 0.0 109.29 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HE2' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -133.64 40.38 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.245 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.73 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -62.71 -158.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.955 179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -156.45 -164.99 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.955 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -164.07 146.94 9.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.494 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -129.25 -170.61 2.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.568 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.07 -173.23 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' CG ' ' N ' ' A' ' 46' ' ' SER . 9.4 ttm180 51.55 -100.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.635 ' CB ' HD21 ' A' ' 79' ' ' LEU . 65.7 m -110.02 28.89 8.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -98.28 -66.33 0.88 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.439 1.087 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.694 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 49.3 -173.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.688 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 2.6 mm-40 -71.16 145.45 49.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.73 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.2 OUTLIER -162.77 133.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.662 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -137.75 117.48 13.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.26 125.96 30.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 59' ' ' SER . . . -119.41 99.27 0.75 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.561 1.163 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG3' ' OG ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -113.93 110.45 20.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER 166.86 -168.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 110.031 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.68 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 52.9 21.9 2.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 71.22 42.37 57.9 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.599 1.187 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.0 OUTLIER 173.86 159.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 0.734 . . . . 0.0 110.321 179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 53' ' ' GLY . 2.4 t -107.84 169.64 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.9 pp -163.1 124.64 2.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.545 HG11 HD11 ' A' ' 6' ' ' LEU . 35.0 t -103.44 94.03 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.06 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -93.12 118.8 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -141.26 177.39 8.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.721 ' HE2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 174.75 131.73 0.13 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.694 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -74.97 -155.21 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.9 mmt180 -83.95 -84.45 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.571 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -45.11 -21.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 108.297 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.815 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.3 m-85 61.28 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.494 ' C ' ' O ' ' A' ' 68' ' ' TYR . 31.0 ttm -29.71 -92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -70.28 -33.64 71.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.571 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER -58.89 -34.88 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.815 ' N ' ' O ' ' A' ' 68' ' ' TYR . 22.9 t -77.51 -59.12 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.937 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -40.0 -52.53 3.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.469 1.106 . . . . 0.0 111.043 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -73.31 -47.22 44.44 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.468 0.746 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 2.8 tt0 -43.14 -51.18 6.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.814 HG22 HD21 ' A' ' 125' ' ' LEU . 20.5 mt -67.31 -45.8 85.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.14 -69.55 0.07 OUTLIER Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.994 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.93 -47.03 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.635 HD21 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.32 -40.19 61.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.77 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.89 -51.11 51.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -73.07 -16.33 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.708 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.55 -45.08 40.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.482 ' HB3' HG23 ' A' ' 85' ' ' VAL . 17.3 m-85 -88.16 -1.42 58.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 110.947 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.3 t 54.87 46.06 25.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.504 ' CG1' ' OD1' ' A' ' 89' ' ' ASN . 79.6 t -105.01 146.79 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.513 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -82.18 154.54 69.64 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.828 ' HG3' HG21 ' A' ' 127' ' ' THR . 18.2 Cg_endo -75.12 -12.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.799 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.86 -15.7 55.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.693 ' O ' ' N ' ' A' ' 6' ' ' LEU . 5.4 p30 -110.06 -12.81 14.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.485 ' HB ' ' HA ' ' A' ' 87' ' ' PRO . 90.4 mt -86.34 130.4 36.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.841 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -137.85 118.88 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.785 HG22 ' CG2' ' A' ' 8' ' ' VAL . 11.4 t -103.21 134.41 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.95 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -114.43 143.83 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -158.35 177.33 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.625 179.984 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.688 ' CB ' HD12 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -98.3 142.8 29.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 135' ' ' ILE . 9.2 t0 -148.78 174.07 12.59 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.663 HD22 ' HD3' ' A' ' 139' ' ' ARG . 0.8 OUTLIER -103.28 106.29 16.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 109.313 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.83 -65.39 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.4 ' O ' ' HA2' ' A' ' 138' ' ' GLY . 2.3 mp -124.43 -120.4 0.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -87.16 -169.67 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.565 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -91.85 50.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -174.2 42.44 0.14 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.593 ' HG2' ' CZ2' ' A' ' 191' ' ' TRP . 0.0 OUTLIER -135.23 156.99 48.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 0.813 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.905 HG23 HD11 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -115.33 164.5 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.576 ' N ' ' O ' ' A' ' 134' ' ' ARG . 12.0 tpt180 -149.81 97.62 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.859 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.36 130.52 52.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -152.46 -178.75 7.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.673 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -131.8 -87.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.673 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -42.1 -82.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 44.83 -120.09 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.9 49.82 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 44.47 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.446 ' O ' HD12 ' A' ' 118' ' ' LEU . . . -49.51 143.42 10.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -45.43 97.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.67 125.13 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 0.73 . . . . 0.0 109.549 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -56.8 -26.01 56.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.78 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -60.86 -62.29 6.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.432 1.082 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 113' ' ' GLY . 0.8 OUTLIER -58.2 -42.37 86.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.483 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -61.23 -33.68 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.354 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.54 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 0.5 OUTLIER -75.36 -30.74 60.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.937 HG22 ' HA2' ' A' ' 73' ' ' GLY . 48.0 t -71.58 -43.12 71.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.555 ' O ' ' N ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.04 -43.48 88.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.23 -179.951 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.402 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -71.42 -37.25 71.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.25 -179.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -71.91 -47.89 49.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.814 HD21 HG22 ' A' ' 76' ' ' ILE . 31.1 mt -77.62 -23.12 49.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 71.68 2.04 48.69 Favored Glycine 0 CA--C 1.532 1.139 0 O-C-N 124.483 1.115 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.828 HG21 ' HG3' ' A' ' 87' ' ' PRO . 13.5 t -126.71 177.53 6.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.617 0.834 . . . . 0.0 110.351 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.538 ' C ' ' HD2' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -142.42 18.59 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.67 9.22 19.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 108' ' ' ILE . 2.1 p90 -86.73 164.09 16.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.418 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 30.2 mt-30 -100.57 156.83 17.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.418 ' HG3' ' C ' ' A' ' 131' ' ' GLN . 0.1 OUTLIER -134.31 147.78 50.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.95 ' HB ' HG22 ' A' ' 93' ' ' ILE . 19.7 t -133.1 81.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER -86.53 144.04 27.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.352 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.751 HD13 HD13 ' A' ' 24' ' ' LEU . 1.5 mt -96.86 136.85 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -90.34 104.08 3.1 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.567 1.167 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.565 ' HB ' ' CD1' ' A' ' 101' ' ' PHE . 3.1 pt -105.89 154.96 6.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.504 ' O ' ' O ' ' A' ' 137' ' ' ILE . . . -28.81 -96.88 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.663 ' HD3' HD22 ' A' ' 97' ' ' LEU . 45.9 ttt180 34.0 83.41 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.224 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 141' ' ' PRO . 18.4 Cg_endo -75.04 147.65 34.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.5 Cg_endo -74.99 53.79 3.44 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 0.0 111.051 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -112.87 -178.64 19.61 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.536 1.147 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -104.31 1.51 30.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 0.749 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.507 ' CE ' ' OD1' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -60.71 -53.37 58.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.868 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER 158.25 81.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -55.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.499 1.789 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.65 -44.58 81.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.868 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -59.03 -36.13 74.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.279 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.42 ' CD1' ' HG3' ' A' ' 152' ' ' GLU . 3.2 t80 -72.41 -30.53 64.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.548 ' CG2' HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -72.3 -34.19 48.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.263 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.531 HD13 ' CE1' ' A' ' 17' ' ' TYR . 39.4 mt -92.47 28.38 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.616 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.2 mm-40 -65.72 -104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.617 ' C ' ' H ' ' A' ' 155' ' ' THR . 2.7 t-20 145.56 49.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.853 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.09 29.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.617 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.6 OUTLIER -22.75 -51.73 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.6 1.187 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.705 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.92 -68.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.853 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -48.15 -40.43 23.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.646 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -75.01 -30.91 61.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.2 -43.67 87.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.707 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.44 -34.19 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 1.022 ' O ' HG22 ' A' ' 165' ' ' ILE . 10.1 mm-40 -74.72 -36.03 62.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.646 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -56.61 -52.15 75.76 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.91 -24.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.46 1.768 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.59 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.9 m -66.23 -61.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.022 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -67.05 -53.66 31.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.658 ' N ' HD13 ' A' ' 165' ' ' ILE . 68.5 m -45.69 -47.6 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.586 1.178 . . . . 0.0 108.318 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.2 tt0 -57.9 -47.44 82.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.56 ' CG ' HG13 ' A' ' 188' ' ' VAL . 1.1 tp-100 -64.53 -48.27 75.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.679 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -65.78 -36.18 82.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -59.1 -42.52 90.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 3.2 m-20 -65.79 -44.85 84.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.962 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -61.37 -37.52 83.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 5.2 m -62.89 -51.32 67.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -57.77 -47.62 82.01 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.419 1.074 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.81 -35.68 81.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.5 tt -55.35 -52.18 64.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 56' ' ' ALA . 26.5 mt -72.33 -23.79 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -67.6 -41.83 83.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.082 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -147.19 -71.96 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -158.42 176.35 35.38 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 8.6 ptp -90.48 -16.31 29.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 0.788 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.584 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 6.2 mt-10 -50.49 -46.33 84.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.02 -38.91 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.488 1.783 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.946 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -65.42 -39.01 91.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.557 ' O ' ' HB2' ' A' ' 189' ' ' HIS . 4.8 tt0 -70.7 -39.2 73.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.99 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.3 t-20 -81.3 -19.62 42.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 1.3 ttt-85 -95.16 -53.03 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.962 HG21 ' HB2' ' A' ' 172' ' ' ALA . 75.8 t -88.11 -57.5 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 185' ' ' GLN . 26.7 m80 -71.82 21.66 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.99 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -84.54 -41.69 16.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 103' ' ' ARG . 1.4 p-90 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 107.979 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.56 0.219 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.2 32.84 4.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.263 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.32 136.09 10.67 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 164.55 33.18 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.447 1.761 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -129.14 137.64 51.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.858 HD23 ' N ' ' A' ' 7' ' ' VAL . 7.7 tt -106.59 149.24 27.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.926 HG12 HG12 ' A' ' 91' ' ' ILE . 15.6 m -132.38 141.06 46.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -128.38 124.64 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.71 110.18 3.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.1 OUTLIER -97.05 97.01 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 0.787 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.71 -143.16 6.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.155 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 2.3 t30 -135.24 127.37 17.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.1 23.79 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 15' ' ' ALA . . . 74.73 162.26 9.2 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.425 1.078 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.763 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -39.55 -83.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 15' ' ' ALA . 2.7 m120 37.86 -139.83 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.526 1.141 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.584 ' HB3' HD11 ' A' ' 151' ' ' LEU . 2.3 m-85 -69.12 -14.85 63.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -48.15 -24.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' N ' ' C ' ' A' ' 17' ' ' TYR . 3.3 tpt180 -68.39 -45.91 71.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.708 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 44.3 p -67.95 -2.42 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.446 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.982 ' NH1' HG21 ' A' ' 27' ' ' VAL . 3.3 tpp180 104.12 13.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.5 ' CB ' ' HB2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -71.28 14.57 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.459 1.099 . . . . 0.0 109.655 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.572 ' H ' ' C ' ' A' ' 21' ' ' ARG . 1.4 t-20 -123.17 12.7 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.105 HD13 HD13 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -39.72 -45.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.342 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.528 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -47.01 -56.68 7.5 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.473 1.108 . . . . 0.0 110.955 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 59.4 t80 -83.95 -23.13 31.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.982 HG21 ' NH1' ' A' ' 21' ' ' ARG . 0.9 OUTLIER -70.47 -45.18 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.726 HG23 HD23 ' A' ' 24' ' ' LEU . 1.8 t -79.79 -45.96 22.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.757 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.5 -35.69 70.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' ALA . 29.1 t0 -73.92 -53.38 10.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.768 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -55.66 -48.28 75.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD12 HG13 ' A' ' 28' ' ' VAL . 4.5 mt -59.85 -59.25 5.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -61.11 -19.04 61.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -83.72 -29.26 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -90.63 -42.27 10.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.344 179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.7 -19.42 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 99.88 -14.83 60.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.568 1.167 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' A' ' 33' ' ' ALA . . . -64.47 146.2 54.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 109.248 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.19 49.83 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.576 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 1.7 t80 -61.07 -118.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER 175.93 -161.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.578 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -127.36 150.7 49.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ALA . 22.9 m-70 -121.87 152.59 39.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.572 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.13 -173.45 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.4 ttp180 37.41 -144.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.29 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.423 ' C ' HD11 ' A' ' 79' ' ' LEU . 2.5 p -67.58 56.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' ARG . . . -128.99 -52.35 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.58 -171.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.578 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 12.8 tp10 -70.07 147.24 50.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.327 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' A' ' 40' ' ' PHE . 71.7 t -156.68 152.4 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -163.75 106.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -86.19 147.99 25.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.374 -179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' HA3' HD11 ' A' ' 60' ' ' LEU . . . -148.6 -165.84 12.46 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.98 130.62 13.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.597 0.822 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -175.91 179.6 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 110.032 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 174' ' ' GLU . . . 44.77 25.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 66.8 41.89 93.34 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.515 1.134 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' SER . 5.4 tpm_? -175.4 154.5 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 0.766 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.89 164.61 25.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 52' ' ' THR . 0.4 OUTLIER -139.92 128.05 22.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.198 -179.917 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.48 ' HB ' ' HG ' ' A' ' 6' ' ' LEU . 94.1 t -107.97 96.57 4.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.857 ' HA ' HG23 ' A' ' 7' ' ' VAL . 2.1 tm? -94.3 121.81 36.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.499 ' C ' ' HD2' ' A' ' 64' ' ' LYS . . . -142.25 167.64 21.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.608 ' NZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -176.55 126.2 0.32 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 -179.919 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.747 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -75.03 -155.47 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.501 1.79 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' C ' ' N ' ' A' ' 68' ' ' TYR . 23.2 mmt180 -80.55 -83.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.653 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -48.43 -16.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 108.342 179.944 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.68 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.0 m-85 60.69 -82.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.813 ' HA ' HD13 ' A' ' 10' ' ' LEU . 24.5 ttm -37.71 -94.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.666 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 10.4 t-20 -59.54 -42.92 93.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.412 1.07 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.653 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.3 OUTLIER -50.45 -42.42 54.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.376 179.88 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.68 ' N ' ' O ' ' A' ' 68' ' ' TYR . 39.8 t -65.59 -51.51 59.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.868 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -43.77 -51.46 6.92 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.935 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.45 -54.48 6.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.299 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.569 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -43.0 -49.28 6.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.779 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -66.53 -44.42 90.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.0 -69.57 0.12 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.935 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.96 -47.19 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.401 1.738 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -53.49 -41.21 66.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.969 ' HB3' HD21 ' A' ' 125' ' ' LEU . . . -67.14 -50.16 62.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.73 -17.73 61.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.3 t80 -73.42 -43.34 60.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.444 1.09 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.576 ' O ' HG23 ' A' ' 85' ' ' VAL . 6.8 m-85 -78.95 1.5 23.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 p 52.14 46.96 25.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.033 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 83' ' ' TYR . 79.3 t -127.21 151.18 33.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' OD1' ' A' ' 89' ' ' ASN . . . -83.01 157.98 65.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.568 ' O ' ' HA ' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.96 -9.11 20.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.434 1.754 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -19.39 57.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.662 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -102.94 -17.73 15.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.755 HD13 HD12 ' A' ' 76' ' ' ILE . 33.2 mt -86.05 134.92 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.926 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -136.97 123.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.933 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.6 p -102.03 137.0 31.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.957 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -114.62 147.08 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.979 ' O ' HD12 ' A' ' 135' ' ' ILE . 7.6 t-160 -153.64 167.05 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.561 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -91.79 142.1 27.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.558 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -154.12 167.41 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.647 HD21 HG23 ' A' ' 150' ' ' VAL . 1.4 mp -99.0 133.03 43.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.46 ' OD1' HD12 ' A' ' 99' ' ' LEU . 11.5 t0 -126.63 -85.49 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.46 HD12 ' OD1' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -136.44 -74.62 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.984 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -88.99 166.2 14.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.35 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -92.74 55.46 2.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.409 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 175.94 49.01 0.06 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.125 . . . . 0.0 110.998 179.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.738 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -134.07 163.09 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 0.726 . . . . 0.0 110.261 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.61 HG23 HD11 ' A' ' 165' ' ' ILE . 1.3 pp -123.06 165.96 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.563 ' N ' ' O ' ' A' ' 134' ' ' ARG . 2.8 mmt180 -147.77 106.49 3.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.801 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -106.8 139.08 41.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.44 165.71 34.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -105.21 -54.28 6.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.499 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -85.87 -95.33 0.79 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.449 1.093 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.428 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . 75.7 -85.58 0.86 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 129.66 119.25 2.13 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.586 ' CD ' HG21 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -38.85 -55.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 53.68 -129.38 41.25 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.419 ' O ' ' ND1' ' A' ' 115' ' ' HIS . . . -79.48 62.96 4.03 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.419 ' ND1' ' O ' ' A' ' 114' ' ' GLY . 61.7 m-70 -147.73 106.79 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 109.584 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -69.07 -37.34 78.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.81 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -59.86 -65.92 3.09 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 122' ' ' VAL . 8.5 mt -53.11 -50.15 65.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.329 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.6 ttt-85 -57.68 -34.7 69.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.5 m -70.19 -30.62 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.982 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.868 HG22 ' HA2' ' A' ' 73' ' ' GLY . 15.4 t -71.07 -42.53 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.922 HG13 ' O ' ' A' ' 127' ' ' THR . 10.3 t -70.06 -33.78 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.5 -37.85 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.383 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.608 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.79 -47.43 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.969 HD21 ' HB3' ' A' ' 80' ' ' ALA . 15.1 mt -81.24 -23.52 37.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 68.33 4.69 38.51 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.922 ' O ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -118.0 176.11 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 110.411 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.549 ' HE2' ' CE1' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -143.03 62.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -131.13 18.25 4.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.718 ' CE1' HG22 ' A' ' 122' ' ' VAL . 30.9 p90 -90.99 172.18 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.553 ' OE1' HG22 ' A' ' 91' ' ' ILE . 33.7 mt-30 -115.7 159.11 21.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.428 ' NH1' ' HA3' ' A' ' 110' ' ' GLY . 0.3 OUTLIER -130.67 147.75 52.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.237 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.957 ' HB ' HG22 ' A' ' 93' ' ' ILE . 8.2 t -140.26 81.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.563 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -87.71 145.19 26.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.105 HD13 HD13 ' A' ' 24' ' ' LEU . 3.5 mp -96.99 149.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 98' ' ' ASP . . . -108.87 95.4 0.91 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.539 1.15 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.655 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -105.52 101.01 11.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ASP . . . 63.98 169.69 1.67 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.558 1.161 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -107.77 139.71 20.88 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.568 0.804 . . . . 0.0 110.287 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 120.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -169.55 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -97.69 -105.35 2.4 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -81.62 50.15 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 0.73 . . . . 0.0 110.281 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.467 ' O ' ' CB ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -120.78 -75.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.896 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.3 m-20 158.64 94.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -59.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.424 1.75 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -57.37 -45.92 83.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.896 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -57.73 -36.53 72.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 149' ' ' PHE . 3.0 t80 -75.8 -25.39 56.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.904 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -77.02 -29.65 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.904 HD22 HG12 ' A' ' 150' ' ' VAL . 4.5 mm? -90.36 44.77 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.614 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 2.8 mm-40 -67.75 -105.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.614 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 7.7 t-20 145.64 45.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.324 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.765 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -76.77 27.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.563 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -23.26 -52.35 0.11 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.39 179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.671 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.01 -69.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.514 1.797 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.765 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.9 -41.78 16.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 0.0 109.346 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.695 ' O ' ' N ' ' A' ' 162' ' ' VAL . 1.2 mt-10 -74.96 -29.55 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.992 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.91 -44.36 96.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 110.23 179.957 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.731 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.87 -35.47 59.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.847 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.9 tp10 -77.76 -37.48 48.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.695 ' N ' ' O ' ' A' ' 158' ' ' GLU . 2.2 t -50.78 -49.29 80.42 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.931 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.992 ' HD3' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.98 -36.89 2.3 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 168' ' ' GLN . 21.6 m -51.95 -53.48 40.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.913 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -76.73 -47.37 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.913 ' N ' HD13 ' A' ' 165' ' ' ILE . 53.8 t -48.64 -54.51 14.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.668 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 1.1 mm-40 -58.63 -52.97 63.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.235 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 164' ' ' THR . 0.0 OUTLIER -58.37 -48.91 79.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.565 ' CB ' HG12 ' A' ' 104' ' ' ILE . . . -70.8 -29.71 65.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.61 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -57.94 -47.42 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 0.7 OUTLIER -70.22 -43.81 69.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.659 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.1 -41.65 97.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.531 ' N ' ' O ' ' A' ' 169' ' ' ALA . 5.9 m -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.426 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -56.45 -45.21 80.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 110.279 -179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.484 ' HA ' ' CB ' ' A' ' 178' ' ' GLU . 0.6 OUTLIER -68.43 -39.66 81.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.714 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.1 tt -50.59 -47.77 57.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.485 HG21 HD13 ' A' ' 5' ' ' LEU . 72.6 mt -81.56 -21.25 10.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.484 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 8.4 tm-20 -58.07 -49.2 77.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -139.13 -72.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -142.88 168.23 26.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.969 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.517 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 15.8 ptp -90.67 -9.48 46.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 0.808 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.551 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -46.72 -48.51 49.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.582 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -75.01 -37.14 2.15 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.548 1.815 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.719 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.88 -43.25 93.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.597 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.7 tt0 -68.52 -38.31 80.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 1.003 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 24.5 t-20 -81.97 -24.47 35.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.582 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -94.97 -56.38 2.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.719 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -71.73 -50.73 36.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.597 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -79.86 16.49 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.601 179.972 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 1.003 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -77.49 -54.82 5.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.552 ' CH2' ' HA ' ' A' ' 188' ' ' VAL . 31.1 p90 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.01 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.532 0.206 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.77 102.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.434 ' O ' ' NH1' ' A' ' 58' ' ' ARG . 1.4 pt-20 179.92 96.44 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.19 31.89 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.603 1.844 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 59' ' ' SER . 2.0 mt -135.74 136.55 40.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.837 HD13 HG12 ' A' ' 90' ' ' ILE . 1.2 tt -122.35 139.11 54.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.223 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.903 HG12 ' CG1' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -133.9 139.41 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -132.66 122.27 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.02 110.95 3.75 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.426 1.079 . . . . 0.0 111.062 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -96.27 105.26 17.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.265 -179.933 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -133.58 -137.92 3.93 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.53 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 0.8 OUTLIER -134.26 130.92 20.39 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.99 75.98 3.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.692 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . 60.07 139.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.895 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . . . 164.0 136.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.292 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -54.17 -37.6 64.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.55 ' HE1' HD13 ' A' ' 151' ' ' LEU . 7.6 t80 -84.15 -18.47 36.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.895 ' HB2' ' HB3' ' A' ' 15' ' ' ALA . . . -71.34 -38.5 71.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' ' C ' ' A' ' 20' ' ' THR . 17.4 mmt85 -46.58 -49.61 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.759 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 71.2 p -27.8 -43.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.759 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 160.89 -9.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' CG ' ' ND2' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -54.16 -3.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.59 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.1 t-20 -117.11 37.74 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -66.95 -52.19 46.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.635 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -48.0 -55.42 10.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.59 1.181 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.559 ' CD1' ' HE3' ' A' ' 64' ' ' LYS . 5.2 t80 -71.53 -26.99 62.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 111.061 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.8 t -65.81 -41.43 90.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 24' ' ' LEU . 61.0 t -72.35 -52.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.037 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.69 -45.93 84.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 12.8 t70 -60.83 -40.93 94.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -60.81 -62.1 2.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 2.9 mt -51.73 -33.71 35.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.515 ' HA ' ' HB3' ' A' ' 38' ' ' ALA . . . -81.62 -24.99 36.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.17 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -93.12 -0.62 56.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HD3' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -117.99 -40.96 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.354 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.973 ' O ' HD12 ' A' ' 36' ' ' LEU . 0.2 OUTLIER -81.37 -15.36 55.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 88.89 1.57 79.68 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.919 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.546 ' H ' ' HG ' ' A' ' 36' ' ' LEU . . . -29.82 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.44 0.729 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.62 37.89 1.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.795 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -58.83 -153.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.33 -162.1 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -161.64 146.34 13.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 48' ' ' ALA . 3.0 t-80 -132.91 171.84 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.594 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -84.48 -166.7 1.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER 37.75 -144.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.433 ' CB ' HD21 ' A' ' 79' ' ' LEU . 60.3 m -70.24 51.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -126.63 -62.17 0.15 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 45.59 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.679 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 2.0 mt-10 -67.26 139.87 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.795 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -151.15 135.68 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.699 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -142.43 124.48 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.55 124.86 29.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.343 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.84 93.65 0.62 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.534 1.146 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.4 OUTLIER -114.08 109.16 18.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 0.761 . . . . 0.0 110.337 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 165.45 -177.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.045 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 61.13 23.34 13.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' O ' ' HG2' ' A' ' 58' ' ' ARG . . . 65.46 31.02 78.93 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.47 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -167.92 159.51 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.318 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.698 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 m -107.13 162.63 13.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.087 . . . . 0.0 109.945 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.99 127.49 3.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.386 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 7' ' ' VAL . 4.6 t -98.35 111.51 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.037 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.1 tm? -102.5 110.79 22.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -140.01 173.57 11.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.559 ' HE3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 179.15 129.06 0.22 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.677 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.5 Cg_endo -74.92 -156.53 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.506 ' C ' ' N ' ' A' ' 68' ' ' TYR . 29.6 mmt180 -86.52 -83.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.602 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -46.84 -19.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.754 ' O ' ' N ' ' A' ' 72' ' ' SER . 17.0 m-85 60.01 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.443 1.089 . . . . 0.0 111.05 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.486 ' HA ' HD13 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -38.06 -79.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.98 -35.9 64.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.251 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.602 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -58.98 -38.83 80.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.754 ' N ' ' O ' ' A' ' 68' ' ' TYR . 24.3 t -73.06 -51.65 17.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.607 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -47.54 -50.12 19.47 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.988 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.57 -47.58 22.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.591 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.4 OUTLIER -45.29 -50.61 11.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.762 ' O ' ' N ' ' A' ' 80' ' ' ALA . 50.9 mt -68.09 -45.25 83.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.61 -69.1 0.08 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.146 . . . . 0.0 111.044 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.988 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.06 -45.87 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.424 1.75 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -53.78 -40.16 66.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.819 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.2 -49.85 58.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -14.71 60.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.719 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.5 t80 -77.48 -42.23 36.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -79.15 -15.42 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.5 p 46.1 42.98 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 109.991 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.588 HG22 ' H ' ' A' ' 86' ' ' ALA . 1.5 p -110.12 -179.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.588 ' H ' HG22 ' A' ' 85' ' ' VAL . . . -75.86 120.63 82.52 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.281 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.759 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.4 Cg_endo -74.97 2.95 6.04 Favored 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.486 1.782 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.3 -1.11 39.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.701 ' O ' ' N ' ' A' ' 6' ' ' LEU . 13.9 p30 -109.0 -13.63 14.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.837 HG12 HD13 ' A' ' 6' ' ' LEU . 8.5 mt -86.71 128.54 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.903 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -137.93 137.25 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 12.2 p -114.93 132.18 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.997 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -108.3 145.53 15.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.962 ' O ' HD12 ' A' ' 135' ' ' ILE . 6.9 t-160 -152.53 -176.91 5.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.526 ' OD2' ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -106.15 146.28 30.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.31 -179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.58 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.2 t70 -151.6 160.84 43.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.943 HD22 ' CG2' ' A' ' 150' ' ' VAL . 1.2 pt? -105.05 108.31 19.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -105.99 -81.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.546 HD13 ' NH2' ' A' ' 103' ' ' ARG . 7.5 mp -117.77 -101.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 138' ' ' GLY . 8.8 mp0 -88.23 175.92 7.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.599 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 1.1 m-85 -91.47 81.58 5.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 162.2 38.3 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.5 tmm_? -136.73 158.83 43.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.904 HG23 ' CG1' ' A' ' 165' ' ' ILE . 1.5 pp -119.7 152.03 22.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.571 1.169 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -138.57 100.27 4.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -107.02 149.47 27.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 1.6 mtmt -155.94 -172.07 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.711 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.6 tp -124.61 -85.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.711 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -68.83 -114.51 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 111' ' ' GLY . . . 37.3 94.58 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 110' ' ' GLY . . . -33.79 146.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 118' ' ' LEU . 1.8 pp20? -38.41 146.24 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.766 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.06 -53.94 20.01 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 170.92 50.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.417 ' HB2' HD12 ' A' ' 118' ' ' LEU . 11.9 m-70 -129.89 138.99 51.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 0.775 . . . . 0.0 109.598 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 120' ' ' SER . 97.9 m-20 -63.41 -26.39 68.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 69' ' ' MET . . . -61.37 -65.12 3.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.417 HD12 ' HB2' ' A' ' 115' ' ' HIS . 0.7 OUTLIER -58.16 -48.45 80.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 0.747 . . . . 0.0 109.417 179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -58.05 -38.22 75.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 116' ' ' ASN . 19.7 m -69.75 -30.09 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.676 HG13 HD12 ' A' ' 125' ' ' LEU . 2.5 t -67.41 -45.95 84.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.542 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 14.8 t -73.18 -26.04 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.57 61.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -78.23 -45.61 22.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.819 HD21 ' CB ' ' A' ' 80' ' ' ALA . 13.4 mt -78.94 -22.29 45.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.542 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 73.31 9.17 76.87 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.562 ' O ' ' CB ' ' A' ' 128' ' ' LYS . 0.5 OUTLIER 82.6 159.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.76 . . . . 0.0 110.425 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.568 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 8.7 mmtt 159.0 -11.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.568 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 2.2 p30 151.26 -106.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.722 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 13.8 m-85 62.65 149.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.065 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.679 ' CG ' HD13 ' A' ' 108' ' ' ILE . 41.8 mt-30 -113.06 159.23 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.435 ' HD3' ' O ' ' A' ' 131' ' ' GLN . 5.1 mmt180 -134.38 148.05 50.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.997 ' HB ' HG22 ' A' ' 93' ' ' ILE . 4.2 t -136.51 83.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.507 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.1 mtt180 -88.89 161.11 16.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.255 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.962 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.3 mp -112.07 154.3 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.229 -179.951 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -106.44 94.92 0.99 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.649 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.48 99.17 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.444 0.732 . . . . 0.0 109.301 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . 59.4 171.89 0.48 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.15 161.64 60.53 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 0.769 . . . . 0.0 110.31 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.477 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -74.99 127.4 10.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -59.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.399 1.736 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -165.35 -148.58 5.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.535 1.147 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 9.6 mmt-85 -83.17 51.13 1.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 110.261 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.4 -75.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.927 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -168.15 92.88 0.63 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -75.11 -57.98 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.432 1.754 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.506 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -56.71 -40.67 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.927 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -61.4 -43.14 99.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.427 ' HA ' ' CG ' ' A' ' 152' ' ' GLU . 8.2 t80 -77.07 -21.1 54.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 111.08 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.943 ' CG2' HD22 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -74.77 -36.72 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 109.219 -179.926 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.55 HD13 ' HE1' ' A' ' 17' ' ' TYR . 1.3 mt -116.5 52.42 0.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -63.9 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.249 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.557 ' C ' ' H ' ' A' ' 155' ' ' THR . 17.2 t30 163.18 44.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.602 1.189 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.762 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.5 OUTLIER -72.99 29.51 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.955 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.579 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -21.08 -52.75 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.394 -179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.706 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.4 Cg_endo -74.99 -69.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.423 1.749 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.762 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -47.52 -40.24 18.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.612 ' N ' ' O ' ' A' ' 154' ' ' PHE . 0.0 OUTLIER -74.45 -31.94 62.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.305 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.034 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -59.32 -42.46 91.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.703 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -78.24 -34.76 48.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.391 1.057 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.637 ' O ' HG22 ' A' ' 165' ' ' ILE . 57.7 mm-40 -75.19 -35.98 61.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.595 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -55.26 -52.39 71.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.034 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.93 -25.69 11.79 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.78 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.562 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.8 m -59.62 -58.45 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.591 1.182 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.998 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -74.69 -45.24 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.998 ' N ' HD13 ' A' ' 165' ' ' ILE . 16.5 m -47.65 -46.71 29.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.75 -44.53 77.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -63.25 -47.42 82.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.828 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.2 -40.96 90.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.81 74.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.446 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 61.0 m-20 -68.24 -45.01 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.024 ' HB2' ' CG2' ' A' ' 188' ' ' VAL . . . -57.54 -43.32 84.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.22 -52.56 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -57.59 -45.59 85.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.491 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -66.31 -36.68 83.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.697 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.0 tt -54.65 -52.06 63.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.46 HG22 ' O ' ' A' ' 56' ' ' ALA . 36.6 mt -73.47 -23.53 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -41.63 84.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 110.251 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.63 -71.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -158.96 175.7 35.9 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.408 ' C ' ' HD2' ' A' ' 183' ' ' PRO . 21.5 ttt -89.59 -20.84 23.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.566 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.3 mt-10 -46.71 -47.99 50.18 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.4 Cg_endo -74.96 -38.53 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.594 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.82 -40.13 96.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.556 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 3.4 tt0 -72.6 -39.23 67.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.745 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 13.5 m-20 -79.43 -19.79 49.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.531 ' N ' ' O ' ' A' ' 183' ' ' PRO . 4.9 ttt180 -97.72 -52.84 3.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.024 ' CG2' ' HB2' ' A' ' 172' ' ' ALA . 18.1 t -87.91 -57.96 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.614 ' HA ' ' CZ3' ' A' ' 191' ' ' TRP . 9.6 t-80 -68.96 23.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.571 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -137.84 60.08 1.64 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.614 ' CZ3' ' HA ' ' A' ' 189' ' ' HIS . 20.3 m-90 . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.458 0.17 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.65 93.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.36 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -179.34 88.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.402 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -75.12 160.33 39.89 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.6 mt -135.81 144.41 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -112.18 139.51 47.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.686 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -121.9 140.83 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.867 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -135.15 121.69 33.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' HA2' HG23 ' A' ' 93' ' ' ILE . . . -96.09 110.14 3.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.473 1.108 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.789 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -94.49 108.52 20.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.281 179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.538 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -130.43 -141.61 4.96 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.41 1.069 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.731 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 23.5 t-20 -138.99 129.38 14.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.641 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.0 Cg_endo -75.13 -20.64 16.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.428 1.752 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -59.69 -144.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.56 1.163 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.688 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -158.12 -73.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 0.734 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' ALA . 7.6 m-80 -37.67 -57.61 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.935 ' CE2' HD22 ' A' ' 151' ' ' LEU . 0.2 OUTLIER -84.48 -18.34 36.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.731 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -72.06 -29.24 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 21' ' ' ARG . 2.5 tpt85 -62.91 -58.13 8.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.662 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 81.8 p -28.91 -38.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.705 ' HB2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER 142.73 3.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' ASN . 18.4 t-160 -67.23 9.83 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.679 ' O ' HG23 ' A' ' 27' ' ' VAL . 63.5 t30 -130.12 34.77 4.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.705 HD23 ' HB2' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -61.46 -48.12 82.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.417 1.073 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.668 ' HA2' HD12 ' A' ' 93' ' ' ILE . . . -51.23 -54.43 23.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.949 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' CB ' ' OD1' ' A' ' 23' ' ' ASN . 0.7 OUTLIER -73.38 -26.44 61.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 0.753 . . . . 0.0 110.94 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 23' ' ' ASN . 3.9 t -72.9 -40.56 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.236 -179.927 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 0.4 OUTLIER -75.64 -50.02 24.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.219 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' CB ' ' HE3' ' A' ' 64' ' ' LYS . . . -56.76 -36.38 69.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.565 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.7 m-20 -68.2 -51.52 44.67 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.517 1.135 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.524 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -45.97 -56.35 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.23 -179.945 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.77 -47.02 77.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.38 1.05 . . . . 0.0 109.307 -179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.62 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -67.73 -18.69 64.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.63 -31.95 36.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.54 -43.34 10.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.45 -19.49 53.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . 93.88 -40.59 2.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.62 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 60.32 145.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.784 . . . . 0.0 109.361 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.81 17.66 1.98 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 1.09 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -77.12 -148.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.961 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.5 OUTLIER -165.11 -165.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -152.31 114.82 4.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 0.1 OUTLIER 178.55 -85.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.655 -179.953 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.6 ' HG3' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER 59.86 -163.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 -37.4 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.487 ' HB3' HD21 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -76.01 -9.1 58.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.965 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 69.96 86.76 0.12 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 65' ' ' PRO . . . -172.92 179.31 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 0.803 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.62 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.2 tp10 -84.47 148.42 26.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.67 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 17.5 m -148.0 135.76 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.09 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -144.33 125.2 14.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.54 126.55 41.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.487 1.117 . . . . 0.0 110.462 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.05 130.65 5.83 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 98.27 3.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 0.785 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.402 ' C ' ' N ' ' A' ' 57' ' ' GLY . 15.2 m -166.86 -168.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 51.15 21.79 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 68.91 44.39 68.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.5 ' HG2' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 177.26 155.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.48 176.14 10.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.7 pp -175.93 103.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.481 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 23.0 t -102.02 110.48 28.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.879 HD11 ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -98.71 122.85 42.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.701 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -142.34 165.98 25.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.879 ' HE3' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER 174.6 123.03 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.757 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.94 -155.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.641 ' C ' ' HG3' ' A' ' 13' ' ' PRO . 1.1 mpt_? -79.94 -84.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.92 -20.33 0.14 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.95 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.757 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 34.8 m-85 60.64 -82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 111.049 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.57 -82.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 111.093 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.639 ' O ' ' HD2' ' A' ' 74' ' ' ARG . 2.2 m-80 -71.97 -43.23 65.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB3' ' HG2' ' A' ' 65' ' ' PRO . 0.0 OUTLIER -52.56 -38.87 60.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 33.0 t -70.48 -52.36 22.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.979 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.866 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.72 -51.26 3.98 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.909 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.97 -55.99 4.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.477 0.751 . . . . 0.0 110.368 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.594 ' HB2' ' HG3' ' A' ' 65' ' ' PRO . 0.1 OUTLIER -43.58 -47.55 7.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.961 ' CG2' HD11 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -67.65 -45.87 83.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.72 -66.57 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.909 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -75.05 -46.96 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 46' ' ' SER . 4.7 mt -53.95 -41.13 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.883 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.16 -50.1 62.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -17.88 61.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.2 t80 -73.41 -45.17 56.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.506 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 13.6 m-85 -82.39 -12.7 57.75 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.7 t 57.22 55.97 5.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 -179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.506 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.0 OUTLIER -106.35 163.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.47 160.69 50.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.599 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.98 -33.41 4.63 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.489 1.784 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.8 0.89 4.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 5' ' ' LEU . 70.6 m-20 -109.5 -23.51 11.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.34 133.06 31.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.686 HG12 HG12 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -136.54 119.21 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.08 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.867 HG22 ' CG2' ' A' ' 8' ' ' VAL . 43.7 t -104.47 123.78 58.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.806 ' C ' HD13 ' A' ' 93' ' ' ILE . 0.0 OUTLIER -103.72 144.92 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 109.259 -179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.968 ' O ' HD12 ' A' ' 135' ' ' ILE . 10.2 t-160 -151.36 -177.55 6.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.411 1.069 . . . . 0.0 109.674 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.53 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p-10 -102.88 140.28 37.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.61 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.3 t70 -151.13 163.88 37.8 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.738 ' H ' HD23 ' A' ' 97' ' ' LEU . 1.2 pt? -103.58 120.31 40.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.595 ' C ' HD22 ' A' ' 99' ' ' LEU . 0.1 OUTLIER -123.78 -71.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.595 HD22 ' C ' ' A' ' 98' ' ' ASP . 4.6 mm? -125.07 -106.44 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 138' ' ' GLY . 0.2 OUTLIER -90.55 174.56 7.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.578 ' CE1' ' HA3' ' A' ' 138' ' ' GLY . 63.6 m-85 -90.12 93.75 9.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.498 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 148.39 40.93 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.691 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -140.26 157.64 45.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 0.749 . . . . 0.0 110.334 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.519 ' HA ' ' HA ' ' A' ' 135' ' ' ILE . 1.0 OUTLIER -117.14 165.5 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.2 OUTLIER -147.29 107.64 4.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 110.329 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.814 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -103.21 131.86 49.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -152.29 174.99 13.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.646 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -132.24 -87.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.945 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.646 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -49.22 -51.34 26.24 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 -179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -75.13 76.68 1.23 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -139.72 -168.92 11.47 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 48.47 63.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.34 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.89 49.22 4.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.57 1.169 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 70.93 58.26 5.81 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -114.54 134.14 55.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -59.79 -52.93 63.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.69 -63.27 5.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.736 ' O ' HG12 ' A' ' 121' ' ' VAL . 10.8 mt -49.3 -42.88 42.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 0.764 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.466 ' O ' HG12 ' A' ' 122' ' ' VAL . 8.7 ttp180 -64.06 -32.82 74.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.536 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 13.2 t -72.47 -28.42 62.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.952 -179.961 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.866 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -73.03 -42.54 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 -179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 127' ' ' THR . 0.3 OUTLIER -63.87 -47.95 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.464 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.0 -36.11 77.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.583 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -68.84 -45.57 70.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.961 HD11 ' CG2' ' A' ' 76' ' ' ILE . 0.6 OUTLIER -78.04 -24.18 47.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.967 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 72.48 2.5 55.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.742 ' O ' HG22 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -107.75 -158.62 0.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 0.777 . . . . 0.0 110.388 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER 176.4 62.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.928 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.548 ' C ' ' HB2' ' A' ' 87' ' ' PRO . 1.3 m-20 -148.04 15.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.705 ' CE2' HD22 ' A' ' 125' ' ' LEU . 10.0 m-85 -85.75 162.75 18.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.541 ' CB ' HD13 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -107.24 164.96 11.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.426 1.079 . . . . 0.0 110.362 179.922 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 14.9 mtt-85 -144.3 149.4 36.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 106' ' ' LEU . 2.5 t -121.76 89.84 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.3 mtp85 -85.47 145.62 27.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.968 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.8 mt -97.7 151.12 4.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.26 97.77 1.45 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.71 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -108.65 102.43 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 101' ' ' PHE . . . 57.59 169.86 0.17 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.66 158.34 75.98 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.713 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.5 Cg_endo -74.99 144.11 29.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.525 1.802 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -171.64 -72.66 0.04 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -150.63 58.75 0.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 0.809 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.29 -68.66 0.92 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 1.002 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.6 OUTLIER -175.58 97.42 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.284 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -45.44 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.82 -46.32 79.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.941 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 1.002 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -58.49 -38.66 78.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -76.02 -25.92 56.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.71 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -74.65 -29.25 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.979 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.935 HD22 ' CE2' ' A' ' 17' ' ' TYR . 2.3 mt -106.18 45.38 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.57 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 3.5 mm-40 -64.07 -103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.348 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.592 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 5.5 t-20 150.65 46.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.807 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.6 OUTLIER -70.87 31.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.646 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -10.42 -55.66 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 179.906 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.797 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.1 -83.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.543 1.812 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.807 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -40.88 -28.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.623 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 0.1 OUTLIER -78.54 -43.98 25.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.022 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.52 -30.36 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.67 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.1 -41.07 59.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.904 ' O ' HG22 ' A' ' 165' ' ' ILE . 4.9 mm-40 -78.18 -35.93 48.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 -179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.512 ' N ' ' CD ' ' A' ' 163' ' ' PRO . 1.1 t -49.02 -51.74 53.24 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.363 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.022 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.94 -36.15 2.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.439 1.757 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.535 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.2 m -52.0 -50.46 61.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.44 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.904 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -80.79 -49.81 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.887 ' N ' HD13 ' A' ' 165' ' ' ILE . 17.2 m -44.21 -50.99 8.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.248 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.65 ' CG ' ' O ' ' A' ' 163' ' ' PRO . 3.8 mm-40 -67.13 -49.07 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -59.57 -48.45 81.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 165' ' ' ILE . . . -71.91 -30.6 65.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -57.38 -47.73 80.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.426 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.8 m-20 -69.58 -45.5 68.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.742 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -61.45 -36.53 80.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 169' ' ' ALA . 2.2 m -64.88 -51.69 60.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.651 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.97 -34.57 68.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.946 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.651 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 tp -72.57 -44.99 61.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.8 tt -50.68 -43.95 57.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.67 -23.27 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.404 ' CB ' ' HA ' ' A' ' 175' ' ' LEU . 5.5 tm-20 -57.2 -49.23 76.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.413 1.071 . . . . 0.0 110.234 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -140.52 -71.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -144.68 170.84 26.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.52 ' CB ' ' HG ' ' A' ' 176' ' ' LEU . 16.9 ptp -89.65 -12.09 40.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.985 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.531 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.4 OUTLIER -44.03 -49.68 21.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.242 -179.929 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.3 Cg_endo -74.96 -36.74 2.41 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.043 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.723 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.85 -43.51 92.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 4.2 tt0 -68.71 -37.77 79.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.362 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.995 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 11.4 m-20 -82.29 -23.92 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -96.32 -57.29 2.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.742 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -70.26 -49.66 52.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.563 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -82.51 17.07 1.86 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.51 1.131 . . . . 0.0 109.585 179.953 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.995 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -75.64 -61.99 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.503 ' CZ3' ' O ' ' A' ' 187' ' ' ARG . 39.9 p90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.577 1.173 . . . . 0.0 108.025 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.474 0.178 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.56 100.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.91 137.57 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 89' ' ' ASN . 18.4 Cg_endo -75.05 176.84 9.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.517 1.798 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.551 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 4.2 mt -140.39 134.59 31.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.814 HD22 HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -133.18 136.71 45.86 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 1.171 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.622 HG13 HG12 ' A' ' 91' ' ' ILE . 34.1 t -129.33 145.93 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.239 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.731 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -140.07 116.95 9.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.69 114.5 4.84 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.542 1.152 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.785 HD11 ' CE1' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -107.2 108.89 20.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 0.801 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -117.54 -139.6 6.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -133.68 118.12 14.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -74.97 -7.33 19.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -62.84 -112.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 164.44 -82.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -46.14 -40.88 11.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.588 ' CE1' HD22 ' A' ' 151' ' ' LEU . 1.3 t80 -84.61 -22.89 29.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' ARG . . . -72.83 -28.71 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 21' ' ' ARG . 18.8 mmt85 -45.36 -28.86 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.4 p -75.14 20.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.603 ' C ' ' H ' ' A' ' 23' ' ' ASN . 3.0 mmp_? 70.43 14.02 7.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -66.54 9.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.642 ' O ' HG23 ' A' ' 27' ' ' VAL . 65.8 t30 -125.94 29.41 5.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.851 ' CD1' HG23 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -54.19 -46.58 72.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -48.58 -61.65 4.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CD2' ' OH ' ' A' ' 68' ' ' TYR . 1.9 t80 -72.83 -23.03 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.985 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 23' ' ' ASN . 5.1 t -73.71 -39.76 53.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.356 -179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.851 HG23 ' CD1' ' A' ' 24' ' ' LEU . 1.2 t -71.54 -51.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.647 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -54.1 -47.34 71.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.513 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.2 m-20 -59.39 -45.93 90.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.05 -60.56 3.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 3.2 mt -56.89 -25.68 57.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.59 ' HB1' ' CB ' ' A' ' 38' ' ' ALA . . . -84.71 -21.18 30.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.7 -28.8 33.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -90.16 -42.82 10.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.4 OUTLIER -85.07 18.37 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 38' ' ' ALA . . . 68.19 -55.07 0.43 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.59 ' CB ' ' HB1' ' A' ' 33' ' ' ALA . . . 74.15 145.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.343 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HD3' ' O ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -163.84 36.18 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.492 1.12 . . . . 0.0 109.38 179.946 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 1.01 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.01 -150.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.033 179.933 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -164.6 -163.75 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -118.85 144.81 46.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -100.65 108.42 20.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.153 . . . . 0.0 109.594 179.995 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -51.78 47.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -39.21 -61.95 0.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.931 ' CB ' HD11 ' A' ' 79' ' ' LEU . 78.1 p -78.77 -25.26 44.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.005 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 72.36 76.49 0.62 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.703 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 175.51 178.59 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.753 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.72 147.8 26.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 8.4 m -141.75 129.41 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 1.01 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -145.81 110.12 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -98.92 163.5 12.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 110.37 -179.949 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -149.21 -165.0 11.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.71 131.01 6.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 110.314 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.423 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.3 OUTLIER 174.44 -174.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.997 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.829 ' HB1' HG22 ' A' ' 177' ' ' ILE . . . 44.67 26.44 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 65.0 50.71 56.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER 173.3 154.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 0.762 . . . . 0.0 110.345 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -77.82 164.09 25.5 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.485 ' C ' HD12 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -141.81 129.27 21.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.466 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.5 t -107.77 108.32 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.647 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -107.82 110.22 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.97 172.92 7.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' CD ' ' N ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER -177.12 115.87 0.26 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.703 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.2 Cg_endo -74.97 -155.94 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.492 ' C ' ' N ' ' A' ' 68' ' ' TYR . 34.6 mmt180 -84.88 -85.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.931 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -47.15 -19.71 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.41 1.069 . . . . 0.0 108.322 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.733 ' O ' ' N ' ' A' ' 72' ' ' SER . 16.0 m-85 61.42 -80.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.679 ' N ' HD13 ' A' ' 10' ' ' LEU . 3.9 ttt -37.7 -84.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -69.2 -38.05 78.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.9 OUTLIER -56.44 -37.78 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.733 ' N ' ' O ' ' A' ' 68' ' ' TYR . 47.8 t -71.5 -56.67 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.865 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -41.47 -52.58 4.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 1.006 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -75.57 -47.1 28.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 0.727 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.587 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.5 tp60 -43.99 -50.86 8.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.401 1.063 . . . . 0.0 110.237 179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.735 HG22 HD21 ' A' ' 125' ' ' LEU . 7.9 mt -68.34 -48.31 73.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.406 1.066 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -26.38 -66.79 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.548 1.155 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 1.006 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.01 -46.67 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.425 1.75 . . . . 0.0 111.008 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.931 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.44 -40.97 62.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.663 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.46 -50.11 54.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -16.8 61.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.751 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.5 t80 -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -82.55 -12.87 57.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 40.8 t 51.54 46.25 26.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 0.0 109.959 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.562 HG22 ' H ' ' A' ' 86' ' ' ALA . 9.8 p -113.96 172.05 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.562 ' H ' HG22 ' A' ' 85' ' ' VAL . . . -80.45 123.6 82.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.239 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 1.033 ' O ' HG22 ' A' ' 90' ' ' ILE . 18.2 Cg_endo -75.01 3.24 5.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.461 1.769 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB2' ' CB ' ' A' ' 129' ' ' ASP . . . -71.1 -14.54 62.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.714 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -99.6 -4.17 31.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.088 . . . . 0.0 109.262 -179.913 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 1.033 HG22 ' O ' ' A' ' 87' ' ' PRO . 1.2 tt -86.81 134.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.622 HG12 HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.72 116.94 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.731 HG22 ' CG2' ' A' ' 8' ' ' VAL . 46.7 t -99.72 123.17 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.662 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.1 OUTLIER -111.95 143.52 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.347 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.791 ' O ' HD12 ' A' ' 135' ' ' ILE . 13.0 t-160 -161.96 166.28 26.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 109.547 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.614 ' OD1' HD13 ' A' ' 137' ' ' ILE . 6.9 t0 -94.07 145.13 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -138.19 168.07 20.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.816 ' HB3' HG21 ' A' ' 150' ' ' VAL . 1.1 pt? -96.13 83.5 3.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 138' ' ' GLY . 0.4 OUTLIER -132.05 -47.68 0.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.737 HD23 ' CD1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -136.4 95.97 3.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.55 ' N ' ' O ' ' A' ' 138' ' ' GLY . 48.7 tt0 -75.25 35.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.737 ' CD1' HD23 ' A' ' 99' ' ' LEU . 6.3 m-85 -100.63 -40.98 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 111.026 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.725 ' O ' HG21 ' A' ' 165' ' ' ILE . . . 124.42 37.68 0.55 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.729 ' O ' HG23 ' A' ' 135' ' ' ILE . 15.0 mmt-85 -103.04 -179.38 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.249 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.792 HD13 ' HB1' ' A' ' 169' ' ' ALA . 0.7 OUTLIER -122.41 166.69 16.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.58 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.3 OUTLIER -146.79 109.07 4.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.912 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -102.82 132.17 49.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.45 ' N ' HD22 ' A' ' 106' ' ' LEU . 0.7 OUTLIER -146.31 166.41 26.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.645 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.3 OUTLIER -127.94 -87.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.645 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -64.03 -35.29 91.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.431 ' C ' ' NH1' ' A' ' 132' ' ' ARG . . . -86.93 143.93 19.2 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 127.95 -173.02 18.96 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.91 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 70.11 73.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 0.77 . . . . 0.0 110.299 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -116.36 -101.23 2.23 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.477 1.111 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.48 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -89.17 71.81 2.3 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 29.6 m80 -155.76 111.68 3.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.579 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 120' ' ' SER . 1.8 t30 -62.95 -43.12 99.65 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.451 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -54.57 -61.9 6.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.702 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.9 mt -53.01 -51.11 62.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.531 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.7 mtp180 -59.11 -31.64 69.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 31.1 t -73.45 -28.31 61.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.865 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.89 -43.35 68.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.792 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.52 -45.56 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.431 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.98 -36.9 75.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.234 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -71.62 -38.88 70.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.735 HD21 HG22 ' A' ' 76' ' ' ILE . 1.6 mt -82.6 -22.4 34.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.86 7.69 75.98 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 72.76 127.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.0 OUTLIER -178.13 36.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.553 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 1.3 m-20 87.79 125.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.792 ' CZ ' HG23 ' A' ' 122' ' ' VAL . 22.1 p90 -178.9 158.24 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.475 ' C ' ' HG3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -129.03 167.44 17.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.559 1.162 . . . . 0.0 110.237 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CZ ' ' O ' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -140.72 150.93 44.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.345 179.925 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 93' ' ' ILE . 41.7 t -126.51 89.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.58 ' O ' ' N ' ' A' ' 105' ' ' ARG . 19.8 mtp180 -86.38 144.2 27.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.791 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.2 mp -104.86 149.6 8.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.993 ' O ' HD12 ' A' ' 137' ' ' ILE . . . -94.13 118.52 5.78 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.993 HD12 ' O ' ' A' ' 136' ' ' GLY . 1.0 OUTLIER -145.35 23.61 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.38 0.694 . . . . 0.0 109.28 -179.948 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.558 ' HA3' ' CA ' ' A' ' 97' ' ' LEU . . . -119.58 141.81 15.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.535 ' O ' ' HD3' ' A' ' 141' ' ' PRO . 1.7 mtt180 -130.51 74.89 79.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.406 ' HB3' ' HB3' ' A' ' 146' ' ' PRO . 18.3 Cg_endo -75.01 109.56 2.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 139' ' ' ARG . 18.2 Cg_endo -75.04 -35.58 3.03 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.443 1.759 . . . . 0.0 111.019 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -162.65 -85.59 0.06 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.43 1.081 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -159.54 21.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.406 ' HD3' ' CG ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -67.03 -63.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.76 ' HB2' ' HB3' ' A' ' 148' ' ' ALA . 2.3 p30 -173.22 94.41 0.35 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.781 ' HB2' HD12 ' A' ' 97' ' ' LEU . 18.3 Cg_endo -75.0 -53.0 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.538 1.809 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 150' ' ' VAL . . . -56.39 -45.36 80.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.76 ' HB3' ' HB2' ' A' ' 145' ' ' ASP . . . -60.17 -40.52 90.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.453 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.8 OUTLIER -68.92 -25.99 64.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.816 HG21 ' HB3' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -77.88 -33.31 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.588 HD22 ' CE1' ' A' ' 17' ' ' TYR . 85.5 mt -79.36 50.44 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.692 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 1.0 OUTLIER -81.75 -99.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.229 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.692 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.6 t30 138.69 49.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.843 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -69.32 27.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.615 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -21.46 -52.11 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.401 179.974 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.72 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.02 -70.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.843 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -46.39 -41.71 14.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' VAL . 3.9 mt-10 -73.26 -32.29 64.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.02 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.3 OUTLIER -59.93 -42.57 94.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.673 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.67 -36.65 60.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.951 ' O ' HG22 ' A' ' 165' ' ' ILE . 12.8 mm-40 -75.99 -37.56 58.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.248 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.654 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.1 t -50.69 -52.5 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.02 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.05 -29.62 7.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 10.3 m -60.43 -56.68 18.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.415 1.072 . . . . 0.0 110.431 179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.951 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -73.08 -51.68 25.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.815 ' N ' HD13 ' A' ' 165' ' ' ILE . 21.8 m -41.05 -48.66 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.357 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -66.21 -48.57 70.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.301 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.521 ' HB3' ' CE2' ' A' ' 191' ' ' TRP . 0.9 OUTLIER -64.71 -43.52 93.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.792 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -71.92 -35.35 69.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -56.08 -49.01 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.0 OUTLIER -69.87 -38.62 76.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.991 ' HB1' HG22 ' A' ' 188' ' ' VAL . . . -65.56 -37.25 86.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.9 m -65.09 -51.01 63.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 171' ' ' ASP . 1.7 pt-20 -55.35 -43.01 74.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -64.49 -38.91 92.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.301 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 1.4 tt -54.74 -49.05 71.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.829 HG22 ' HB1' ' A' ' 56' ' ' ALA . 8.4 mt -79.09 -17.6 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 0.0 109.361 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 174' ' ' GLU . 5.8 tm-20 -70.31 -33.55 71.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -132.64 -72.32 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -174.31 -152.13 8.84 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.596 1.185 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.516 ' O ' ' N ' ' A' ' 185' ' ' GLN . 3.3 ptt? -95.35 -34.81 12.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.487 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -44.58 -51.94 19.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 -179.945 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.1 Cg_endo -75.14 -36.52 2.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.838 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -67.27 -43.15 82.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.54 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 0.8 OUTLIER -66.9 -37.03 83.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.989 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.6 t30 -81.27 -22.66 38.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.232 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.664 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 3.7 ttt180 -102.88 -58.46 1.87 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.236 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.991 HG22 ' HB1' ' A' ' 172' ' ' ALA . 14.7 t -62.16 -51.11 76.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.54 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -76.57 6.49 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.553 -179.939 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.989 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -85.22 -71.87 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.08 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.662 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 108.046 179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.524 0.202 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.433 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . . . -130.25 175.42 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 3' ' ' GLU . 8.7 pt-20 -169.29 102.79 0.48 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.387 1.054 . . . . 0.0 110.316 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.455 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 17.9 Cg_endo -75.04 167.88 26.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.472 1.775 . . . . 0.0 110.953 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -135.64 141.2 45.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.734 HD22 ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -107.67 142.22 37.97 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.726 HG12 HG12 ' A' ' 91' ' ' ILE . 0.0 OUTLIER -122.78 141.0 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.676 ' CG2' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.13 124.11 45.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.85 111.84 4.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.843 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.62 100.48 12.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.86 -159.33 22.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.449 1.093 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.609 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 2.3 m120 -134.52 111.18 11.53 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.527 0.781 . . . . 0.0 109.334 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' O ' ' O ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.96 9.92 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.41 1.742 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.591 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . -54.22 -158.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.92 -129.87 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -57.41 -33.75 68.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.677 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -68.39 -29.32 67.98 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.961 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.609 ' HB1' ' O ' ' A' ' 12' ' ' ASN . . . -75.87 -38.24 58.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.582 ' O ' ' C ' ' A' ' 20' ' ' THR . 5.7 tpt180 -57.82 -45.83 85.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.684 ' O ' ' HB2' ' A' ' 21' ' ' ARG . 51.5 p -22.48 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.768 HH21 HG21 ' A' ' 27' ' ' VAL . 0.1 OUTLIER 161.97 -11.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.939 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.72 2.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.66 ' O ' HG23 ' A' ' 27' ' ' VAL . 60.2 t30 -112.31 36.17 3.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.785 ' HG ' HD13 ' A' ' 135' ' ' ILE . 0.0 OUTLIER -61.52 -62.44 1.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.685 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -33.99 -62.01 0.48 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' CG ' ' OH ' ' A' ' 68' ' ' TYR . 2.7 t80 -66.94 -35.4 79.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 0.776 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG21 HH21 ' A' ' 21' ' ' ARG . 2.5 t -62.22 -41.94 93.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.672 HG23 ' CD1' ' A' ' 24' ' ' LEU . 2.2 t -69.98 -51.39 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.916 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.41 -47.38 76.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 6.1 t70 -67.04 -30.2 70.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.497 HD22 ' SG ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -64.31 -60.37 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.362 179.911 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 4.2 mt -53.63 -50.35 65.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -52.52 -36.05 54.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -44.54 11.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.263 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.12 -168.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.911 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -90.87 -13.91 58.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' O ' ' O ' ' A' ' 37' ' ' GLY . . . 52.86 103.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.71 67.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.873 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -145.28 -151.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 110.979 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 1.3 mtmt -151.44 -166.44 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.576 ' CB ' ' HA ' ' A' ' 49' ' ' GLU . . . -161.32 108.65 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER 179.02 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.587 -179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.506 ' HG3' HG11 ' A' ' 50' ' ' VAL . 17.0 mmmt 58.89 -172.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.25 -31.69 49.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.216 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.6 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -71.93 -39.75 69.23 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 43' ' ' HIS . . . 97.02 56.03 1.16 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.518 1.137 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.598 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -143.22 -179.36 6.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HA ' ' CB ' ' A' ' 42' ' ' ALA . 1.9 mm-40 -83.69 146.88 27.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.623 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 2.7 m -144.02 107.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.873 ' HB2' ' CD2' ' A' ' 40' ' ' PHE . . . -115.55 109.64 18.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.01 150.67 42.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.431 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.12 134.12 5.07 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.562 1.164 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -141.03 98.47 3.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 0.794 . . . . 0.0 110.245 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.446 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.5 OUTLIER -162.33 -163.27 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.71 27.71 0.1 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.453 1.096 . . . . 0.0 109.252 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 62.69 47.6 87.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.467 1.104 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' NH2' ' HA ' ' A' ' 2' ' ' ALA . 0.3 OUTLIER 177.15 152.85 0.22 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 0.773 . . . . 0.0 110.347 179.977 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -81.09 178.49 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 3.2 pp -175.95 122.17 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.602 HG11 HD11 ' A' ' 6' ' ' LEU . 8.1 t -106.13 114.09 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.916 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -104.45 126.01 51.16 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.565 ' N ' HD22 ' A' ' 62' ' ' LEU . . . -142.64 165.61 26.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HZ2' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -176.03 121.23 0.31 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.648 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.06 -157.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.606 1.845 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.501 ' C ' ' N ' ' A' ' 68' ' ' TYR . 21.8 mmt180 -81.96 -83.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.551 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.87 -19.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.735 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.6 m-85 61.4 -80.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.663 ' CA ' HD13 ' A' ' 10' ' ' LEU . 8.2 ttt -34.35 -93.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.32 -37.39 87.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.547 ' OE2' ' CZ ' ' A' ' 74' ' ' ARG . 2.6 mm-40 -56.48 -31.07 63.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.331 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.735 ' N ' ' O ' ' A' ' 68' ' ' TYR . 40.9 t -78.05 -56.25 4.63 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.923 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.55 -52.82 3.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.969 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.67 -44.55 49.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 0.728 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.538 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.3 tm0? -46.67 -50.51 17.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.791 ' O ' ' N ' ' A' ' 80' ' ' ALA . 2.9 mt -67.38 -46.56 83.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.401 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.516 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.11 -68.1 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.969 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.1 Cg_endo -74.94 -45.82 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.535 1.808 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.3 OUTLIER -54.96 -39.47 68.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.791 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.51 -50.21 59.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -16.0 60.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.676 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.0 t80 -81.98 -37.61 26.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.664 ' HB3' HG23 ' A' ' 85' ' ' VAL . 2.7 m-85 -80.2 -10.79 59.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 68.49 12.01 8.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.664 HG23 ' HB3' ' A' ' 83' ' ' TYR . 23.6 t -93.46 150.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 87' ' ' PRO . . . -83.87 165.16 40.96 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.554 ' HA ' HG22 ' A' ' 90' ' ' ILE . 18.2 Cg_endo -74.91 -18.04 19.29 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.582 1.833 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.16 -9.26 15.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 6' ' ' LEU . 69.3 m-20 -110.61 -20.39 12.56 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.734 ' CD1' HD22 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -87.47 138.72 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.984 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.726 HG12 HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -138.45 123.03 21.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.676 HG22 ' CG2' ' A' ' 8' ' ' VAL . 58.7 t -103.96 137.96 30.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.256 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.946 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -117.06 146.28 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 1.0 ' O ' HD12 ' A' ' 135' ' ' ILE . 9.3 t-160 -151.5 164.98 35.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.544 179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.69 ' CG ' HD23 ' A' ' 24' ' ' LEU . 4.1 t0 -99.65 140.82 33.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.9 t0 -155.09 152.35 29.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.653 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.6 OUTLIER -82.13 129.65 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.4 -79.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.4 OUTLIER -136.52 -69.99 0.47 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.16 164.44 13.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 110.238 -179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CZ ' ' OE2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -93.48 22.37 5.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -154.98 54.61 0.42 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.8 tmm_? -134.11 156.72 47.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 110.279 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.798 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.9 pp -123.76 159.51 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.244 -179.931 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.54 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -143.79 112.93 6.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 110.285 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.798 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -104.7 139.3 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.51 172.13 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.714 HG23 ' H ' ' A' ' 109' ' ' GLY . 0.6 OUTLIER -98.69 -93.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.714 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -105.28 40.73 2.37 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.472 1.107 . . . . 0.0 111.002 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -37.53 -87.79 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 155.72 149.64 5.38 Favored Glycine 0 CA--C 1.531 1.078 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.482 ' OE1' HG11 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -76.12 74.95 2.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.574 0.808 . . . . 0.0 110.253 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -42.12 -83.24 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.555 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -139.09 80.42 0.28 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 88.5 m-70 -163.59 112.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.476 ' HB2' ' CE ' ' A' ' 69' ' ' MET . 2.0 m-20 -54.45 -33.06 58.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.365 179.924 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.48 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -59.78 -67.32 2.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 111.046 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.698 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.2 mt -48.18 -42.15 28.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.537 ' O ' HG12 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -64.68 -31.7 73.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 110.372 179.933 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.605 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 5.5 t -74.97 -28.16 60.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.923 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.07 -43.62 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.846 HG23 ' CE2' ' A' ' 130' ' ' PHE . 0.5 OUTLIER -66.71 -46.17 86.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.455 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -69.13 -37.55 78.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.605 ' CB ' ' O ' ' A' ' 120' ' ' SER . . . -67.55 -45.38 75.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.673 HD11 HG21 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -78.85 -20.6 49.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 79.36 2.19 87.21 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 74.45 130.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 3.6 mmtt -179.47 32.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.7 m-20 81.88 98.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.846 ' CE2' HG23 ' A' ' 122' ' ' VAL . 6.3 p90 -127.05 160.8 30.05 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.474 ' HB2' HG22 ' A' ' 91' ' ' ILE . 78.5 mt-30 -108.18 155.3 20.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 3.5 tpp180 -140.63 163.48 32.76 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.946 ' HB ' HG22 ' A' ' 93' ' ' ILE . 24.3 t -153.17 85.41 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 105' ' ' ARG . 8.2 mtp180 -89.38 141.91 28.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.0 HD12 ' O ' ' A' ' 94' ' ' HIS . 3.5 mp -96.35 147.35 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -104.8 103.64 2.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.485 1.116 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.727 HD12 HG22 ' A' ' 150' ' ' VAL . 1.8 pp -121.67 81.8 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.533 ' O ' ' CB ' ' A' ' 139' ' ' ARG . . . -96.55 -130.03 6.33 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.538 ' N ' ' O ' ' A' ' 99' ' ' LEU . 2.6 ttt-85 87.11 71.3 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.778 . . . . 0.0 110.255 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 140.96 26.01 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.545 1.813 . . . . 0.0 111.028 179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.497 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.2 Cg_endo -75.01 -54.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 143' ' ' ARG . . . -165.35 28.84 0.2 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 142' ' ' GLY . 7.1 mtt180 70.95 1.4 3.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -52.26 65.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.353 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.955 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.4 OUTLIER -161.28 100.83 1.24 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.8 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.49 1.784 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.8 -46.37 68.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.955 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.05 -39.46 82.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.497 ' CD2' ' HD3' ' A' ' 141' ' ' PRO . 3.2 t80 -75.21 -29.76 60.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.727 HG22 HD12 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -63.91 -41.46 92.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 17' ' ' TYR . 1.1 mt -93.89 39.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.593 ' OE1' ' CD1' ' A' ' 154' ' ' PHE . 4.6 tt0 -75.75 -101.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.638 ' C ' ' H ' ' A' ' 155' ' ' THR . 7.9 t-20 162.99 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.854 ' O ' ' N ' ' A' ' 158' ' ' GLU . 0.5 OUTLIER -67.15 30.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.958 -179.997 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.638 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -23.68 -48.95 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 110.428 179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.806 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.98 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.768 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.799 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -75.22 -26.83 59.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.854 ' N ' ' O ' ' A' ' 154' ' ' PHE . 19.9 mt-10 -81.04 -40.23 24.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.03 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -66.47 -34.95 79.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.17 . . . . 0.0 110.276 -179.935 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.672 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.39 -38.93 48.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.667 ' O ' HG22 ' A' ' 165' ' ' ILE . 5.1 mm-40 -77.87 -34.78 51.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.264 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.522 ' O ' ' SG ' ' A' ' 166' ' ' CYS . 1.5 t -52.64 -51.88 69.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.03 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.07 -30.69 6.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.555 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 4.2 m -55.11 -55.05 35.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.702 HD11 ' CG2' ' A' ' 104' ' ' ILE . 0.0 OUTLIER -78.08 -48.45 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.693 ' N ' HD13 ' A' ' 165' ' ' ILE . 54.1 m -49.31 -47.52 46.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.8 tt0 -65.58 -46.13 80.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 164' ' ' THR . 5.7 tm0? -65.32 -44.96 86.2 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.151 . . . . 0.0 110.254 -179.922 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.798 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -72.73 -34.54 67.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -57.31 -49.08 77.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 15.4 m-20 -68.94 -40.73 78.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.84 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.41 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 169' ' ' ALA . 7.2 m -63.48 -51.32 66.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.561 1.163 . . . . 0.0 110.453 179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -59.34 -43.68 92.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.667 HD23 ' HB2' ' A' ' 183' ' ' PRO . 1.3 tp -68.63 -36.19 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.8 tt -55.2 -50.74 68.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -76.91 -21.81 14.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.85 -58.88 6.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -119.13 -73.49 0.64 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -154.79 -171.75 21.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.421 ' O ' ' N ' ' A' ' 185' ' ' GLN . 7.7 ptp -88.71 -18.62 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.56 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -46.65 -48.44 49.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.946 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.667 ' HB2' HD23 ' A' ' 175' ' ' LEU . 18.4 Cg_endo -74.92 -37.75 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.456 1.766 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.658 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -66.46 -36.87 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.627 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 2.2 tt0 -71.16 -39.98 71.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 1.054 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.4 t-20 -82.63 -21.93 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.17 -55.14 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.321 179.912 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.84 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -76.21 -57.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.627 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -65.37 -6.51 10.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.676 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 1.054 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.67 97.35 3.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.409 ' CH2' HG22 ' A' ' 164' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.517 0.198 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 58' ' ' ARG . . . -173.65 124.33 0.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -179.25 125.12 0.24 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.472 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 18.3 Cg_endo -75.02 152.21 40.39 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.533 1.807 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -132.3 140.1 48.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' A' ' 89' ' ' ASN . 1.1 tt -107.57 143.6 35.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.939 HG13 HG12 ' A' ' 91' ' ' ILE . 2.0 t -126.34 139.65 51.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.693 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.14 120.84 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.19 106.68 3.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.879 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -92.47 98.63 11.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 68' ' ' TYR . . . -123.37 -141.16 5.8 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.599 ' H ' ' HA ' ' A' ' 23' ' ' ASN . 4.7 m-20 -140.28 130.73 13.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.506 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.3 Cg_endo -74.99 139.35 24.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.34 113.89 0.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 18' ' ' ALA . . . -42.82 -90.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 44.38 -140.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.578 ' O ' ' CD1' ' A' ' 17' ' ' TYR . 2.0 t80 -64.81 -17.21 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 15' ' ' ALA . . . -72.56 -42.01 65.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.524 ' O ' ' C ' ' A' ' 20' ' ' THR . 8.7 tpt85 -37.76 -48.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.793 HG22 ' O ' ' A' ' 152' ' ' GLU . 30.6 p -28.61 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.636 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER 166.68 -15.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.353 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' CD2' HH21 ' A' ' 21' ' ' ARG . 0.1 OUTLIER -54.21 -3.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.513 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.703 ' O ' HG23 ' A' ' 27' ' ' VAL . 59.8 t30 -120.69 44.01 2.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.969 HD12 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -62.2 -65.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -34.16 -64.78 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' ASP . 1.3 t80 -63.36 -34.87 78.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 0.793 . . . . 0.0 111.03 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.8 t -58.01 -41.13 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.765 HG12 HD12 ' A' ' 32' ' ' LEU . 86.4 t -77.38 -51.07 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -56.89 -34.46 67.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ALA . 6.4 m-20 -69.7 -54.24 14.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -56.95 -53.87 53.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.765 HD12 HG12 ' A' ' 28' ' ' VAL . 7.1 mt -57.15 -51.66 68.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.163 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 29' ' ' ALA . . . -62.06 -24.52 67.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -76.27 -30.95 58.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -44.18 10.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -39.92 92.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.39 -8.6 79.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -42.31 141.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.18 76.26 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.872 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 64.3 m-85 -60.1 156.84 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 1.6 mttp -118.32 175.4 5.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.265 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' HB3' ' A' ' 43' ' ' HIS . . . -126.68 153.56 45.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.268 -179.923 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.509 ' N ' ' O ' ' A' ' 48' ' ' ALA . 6.6 t-160 71.55 -85.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.577 -179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.14 52.8 14.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.453 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 71.66 -70.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.172 . . . . 0.0 110.297 -179.95 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.611 ' CB ' HD11 ' A' ' 79' ' ' LEU . 2.1 p -39.51 -44.35 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' A' ' 43' ' ' HIS . . . 100.01 49.89 1.42 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.781 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -171.72 -176.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 0.737 . . . . 0.0 109.265 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 50' ' ' VAL . 3.7 tp10 -84.38 149.35 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.257 -179.909 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.525 HG23 ' HB2' ' A' ' 63' ' ' ALA . 8.2 p -170.41 157.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.872 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -171.76 124.98 0.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.29 151.25 46.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.088 . . . . 0.0 110.404 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -140.6 133.39 5.91 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -140.48 105.42 4.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.414 0.714 . . . . 0.0 110.343 179.926 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.44 -173.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.07 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 54.27 19.07 2.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.233 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 41.41 58.82 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.489 ' HB3' ' CG2' ' A' ' 177' ' ' ILE . 0.6 OUTLIER -178.65 157.09 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.606 ' C ' HD23 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -79.0 179.01 7.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 -179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.606 HD23 ' C ' ' A' ' 59' ' ' SER . 0.4 OUTLIER 176.87 116.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.9 t -108.92 116.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.626 HD22 ' HB ' ' A' ' 7' ' ' VAL . 3.4 mm? -102.75 127.4 49.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.525 ' HB2' HG23 ' A' ' 50' ' ' VAL . . . -144.23 168.96 18.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER 178.19 122.92 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.781 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.0 -154.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.594 ' O ' ' CD2' ' A' ' 68' ' ' TYR . 9.5 mmt-85 -87.25 -88.42 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.61 -23.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 108.269 -179.983 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 72' ' ' SER . 29.4 m-85 63.38 -79.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.879 ' HA ' HD13 ' A' ' 10' ' ' LEU . 12.0 ttm -29.28 -99.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -64.58 -32.31 73.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.579 1.174 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.573 ' HA ' ' CD ' ' A' ' 74' ' ' ARG . 1.7 mt-10 -60.4 -38.64 84.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.882 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.0 t -71.85 -47.05 55.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 124' ' ' ALA . . . -50.4 -49.14 39.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 1.079 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.85 -38.15 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.572 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 3.3 mm-40 -60.26 -44.98 94.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.693 HG12 HG11 ' A' ' 8' ' ' VAL . 57.9 mt -69.18 -51.13 46.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.6 -61.9 0.21 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 1.079 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.6 Cg_endo -74.99 -47.35 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.611 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -54.03 -40.56 67.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.676 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -66.96 -50.95 60.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -74.45 -16.9 60.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.714 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.1 t80 -73.68 -43.37 59.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.482 ' O ' HG23 ' A' ' 85' ' ' VAL . 6.3 m-85 -78.18 0.39 25.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 111.046 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.6 p 51.33 46.21 26.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.382 1.051 . . . . 0.0 110.064 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 83' ' ' TYR . 53.2 t -119.05 165.0 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.474 ' N ' HG12 ' A' ' 85' ' ' VAL . . . -82.75 155.78 68.04 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HG3' ' HB3' ' A' ' 128' ' ' LYS . 18.1 Cg_endo -75.03 -19.35 17.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.51 -5.14 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 -179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.61 ' O ' ' N ' ' A' ' 6' ' ' LEU . 73.3 m-20 -106.63 -18.64 13.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 131' ' ' GLN . 40.7 mt -88.75 137.42 21.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.939 HG12 HG13 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -134.99 117.63 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.8 p -102.72 124.81 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.525 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.2 OUTLIER -102.91 146.8 10.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.578 ' CG ' ' HG ' ' A' ' 10' ' ' LEU . 9.2 t-160 -158.93 -171.88 3.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.626 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.545 ' HB2' ' CD1' ' A' ' 137' ' ' ILE . 1.2 p-10 -85.65 138.53 32.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.659 ' N ' ' O ' ' A' ' 135' ' ' ILE . 1.3 t0 -121.18 116.39 24.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 -179.913 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.508 ' HA ' ' O ' ' A' ' 138' ' ' GLY . 0.0 OUTLIER -79.61 49.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.57 -71.81 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.674 ' O ' ' CA ' ' A' ' 138' ' ' GLY . 5.5 tp -132.97 -132.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 136' ' ' GLY . 0.7 OUTLIER -88.61 165.66 14.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.731 ' HZ ' HD21 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -74.82 131.96 41.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . 134.24 8.15 2.1 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 135' ' ' ILE . 4.1 mmm-85 -134.47 166.33 23.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.985 HG23 HD11 ' A' ' 165' ' ' ILE . 1.1 pp -123.64 160.84 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -148.96 88.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 1.001 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -103.52 139.98 38.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.219 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.6 ' N ' HD22 ' A' ' 106' ' ' LEU . 1.3 mtmt -150.38 -171.95 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.815 HD12 ' O ' ' A' ' 130' ' ' PHE . 1.6 tp -129.13 -87.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.769 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -79.98 52.68 4.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.47 1.106 . . . . 0.0 110.949 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -78.02 -110.01 0.18 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 174.13 118.81 0.52 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.736 ' CD ' HG21 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -45.77 -65.54 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 0.796 . . . . 0.0 110.302 -179.925 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.94 -107.15 2.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 111.062 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -110.17 68.87 0.21 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -142.53 118.51 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 0.789 . . . . 0.0 109.607 179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -70.68 -40.63 72.83 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -65.28 -60.78 6.34 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.102 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 122' ' ' VAL . 11.5 mt -53.68 -48.28 69.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.355 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -59.12 -34.72 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 1.168 . . . . 0.0 110.403 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 t -70.81 -30.74 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.504 1.127 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.503 HG22 ' HA2' ' A' ' 73' ' ' GLY . 2.6 t -70.75 -43.12 77.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.975 HG22 ' CE2' ' A' ' 130' ' ' PHE . 5.1 t -73.46 -27.89 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.89 -40.22 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -75.78 -44.11 43.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.561 1.163 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 80' ' ' ALA . 19.2 mt -78.56 -21.42 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 74.96 8.17 82.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.579 1.174 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.502 ' OG1' ' CG1' ' A' ' 122' ' ' VAL . 0.5 OUTLIER 72.26 122.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 0.759 . . . . 0.0 110.388 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.55 ' CE ' ' HA ' ' A' ' 128' ' ' LYS . 0.0 OUTLIER -163.02 25.26 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 0.6 OUTLIER 80.36 101.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.96 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.975 ' CE2' HG22 ' A' ' 122' ' ' VAL . 5.7 p90 -133.87 176.67 8.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.527 ' CG ' HD13 ' A' ' 108' ' ' ILE . 84.1 mt-30 -111.56 154.46 24.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.419 1.074 . . . . 0.0 110.238 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.49 HH12 ' N ' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -144.26 149.35 36.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 1.001 HG22 ' HB2' ' A' ' 106' ' ' LEU . 23.0 t -133.34 87.64 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.345 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.7 mtp180 -95.43 127.16 41.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.969 HD13 HD12 ' A' ' 24' ' ' LEU . 4.9 mp -88.93 145.8 6.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . -84.71 89.67 1.6 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.573 ' O ' ' CG1' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -115.0 102.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 0.799 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.674 ' CA ' ' O ' ' A' ' 99' ' ' LEU . . . 49.98 176.67 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.574 ' HB2' ' HD2' ' A' ' 140' ' ' PRO . 0.2 OUTLIER -104.31 171.23 5.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.478 0.752 . . . . 0.0 110.319 179.924 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -74.95 179.95 5.57 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.509 1.794 . . . . 0.0 111.036 -179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.564 ' HD2' ' HB2' ' A' ' 140' ' ' PRO . 18.4 Cg_endo -75.01 134.64 18.05 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 111.06 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 156.08 56.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.076 -179.932 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 173.54 -156.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.585 0.814 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.56 -48.04 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.441 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.7 m-20 166.87 67.7 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.479 ' HG2' ' HA ' ' A' ' 141' ' ' PRO . 18.3 Cg_endo -74.93 -51.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' A' ' 141' ' ' PRO . . . -58.24 -44.6 88.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.373 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -57.29 -33.48 67.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.415 ' HB3' ' O ' ' A' ' 146' ' ' PRO . 3.4 t80 -76.32 -31.64 58.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.861 HG12 HD22 ' A' ' 151' ' ' LEU . 0.5 OUTLIER -68.13 -37.25 77.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.861 HD22 HG12 ' A' ' 150' ' ' VAL . 0.3 OUTLIER -99.21 43.16 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.793 ' O ' HG22 ' A' ' 20' ' ' THR . 2.1 tt0 -81.91 -97.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.436 1.085 . . . . 0.0 110.385 179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.619 ' C ' ' H ' ' A' ' 155' ' ' THR . 18.4 t30 164.66 48.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.861 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.7 ' CG ' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -68.98 28.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 110.961 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.619 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.8 OUTLIER -28.11 -50.83 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.648 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.9 -62.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 111.052 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.7 ' HB3' ' CG ' ' A' ' 154' ' ' PHE . . . -50.39 -45.46 55.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.93 ' HG2' HG23 ' A' ' 162' ' ' VAL . 17.3 tt0 -71.76 -30.41 65.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.251 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.007 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -58.83 -43.92 90.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.731 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.14 -34.38 56.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.946 ' O ' HG22 ' A' ' 165' ' ' ILE . 3.8 mm-40 -75.25 -37.76 60.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.93 HG23 ' HG2' ' A' ' 158' ' ' GLU . 1.2 t -53.3 -50.68 81.28 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.007 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -26.22 11.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.558 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 8.2 m -65.89 -62.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.985 HD11 HG23 ' A' ' 104' ' ' ILE . 0.0 OUTLIER -67.01 -53.18 36.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.836 ' N ' HD13 ' A' ' 165' ' ' ILE . 46.7 t -46.1 -48.05 17.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.293 179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.532 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 1.8 tt0 -57.78 -46.74 84.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.294 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.652 ' O ' HG21 ' A' ' 188' ' ' VAL . 27.2 mm-40 -64.09 -47.79 78.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.965 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.64 -38.87 80.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.93 -43.07 77.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 37.0 m-20 -67.05 -46.27 74.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.692 ' HB2' ' CB ' ' A' ' 188' ' ' VAL . . . -58.21 -45.81 86.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.5 m -66.17 -50.49 63.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.16 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.516 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.5 pt-20 -57.84 -47.32 83.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.516 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -66.51 -39.48 88.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.706 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.1 tt -51.09 -51.33 54.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.489 ' CG2' ' HB3' ' A' ' 58' ' ' ARG . 31.6 mt -75.04 -24.47 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -64.48 -43.15 95.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.36 -71.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -153.5 172.39 32.33 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -16.4 27.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.589 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 3.4 mt-10 -51.95 -46.31 92.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -75.0 -38.3 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.422 1.748 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.681 ' HB1' ' HA ' ' A' ' 172' ' ' ALA . . . -65.31 -39.79 92.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.561 ' HA ' ' CB ' ' A' ' 189' ' ' HIS . 1.9 tt0 -71.14 -38.47 72.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.747 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 58.0 t30 -81.67 -18.78 43.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 183' ' ' PRO . 2.2 ttt180 -95.72 -54.4 3.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.692 ' CB ' ' HB2' ' A' ' 172' ' ' ALA . 50.1 t -90.04 -58.01 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 185' ' ' GLN . 22.4 t-80 -68.13 22.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -105.93 -41.47 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.619 ' CE3' ' C ' ' A' ' 191' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.515 0.197 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -177.59 136.3 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.22 69.0 3.8 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.46 25.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.8 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.847 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -125.18 166.31 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.226 -179.967 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 7' ' ' VAL . 1.5 tt -117.41 144.6 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.82 ' HB ' HD22 ' A' ' 62' ' ' LEU . 23.7 t -127.88 143.46 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.523 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -136.31 124.72 36.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.403 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -103.76 111.44 3.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.81 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -90.76 104.48 17.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -112.47 -148.19 10.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 1.03 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 3.5 t-20 -135.46 118.8 12.79 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -12.1 21.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.628 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -59.1 -116.37 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 14' ' ' GLY . . . 166.82 -77.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -47.98 -35.83 11.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.03 -20.24 20.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.922 -179.924 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 1.03 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -71.43 -32.34 68.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' C ' ' H ' ' A' ' 21' ' ' ARG . 2.1 mpt_? -50.37 -36.26 31.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.637 ' O ' ' CB ' ' A' ' 21' ' ' ARG . 34.8 p -61.92 -2.56 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.49 179.911 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.637 ' CB ' ' O ' ' A' ' 20' ' ' THR . 1.6 tpp180 95.96 11.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.59 1.181 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.469 ' O ' ' CB ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -67.58 9.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.577 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.65 ' O ' HG23 ' A' ' 27' ' ' VAL . 64.4 t30 -126.94 34.63 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.104 HD22 HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -59.81 -43.79 94.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.938 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -50.81 -56.75 12.58 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.616 ' CD1' ' OH ' ' A' ' 68' ' ' TYR . 9.0 t80 -76.46 -25.34 54.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 111.016 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 23' ' ' ASN . 4.4 t -71.23 -42.83 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.638 HG11 HD13 ' A' ' 93' ' ' ILE . 1.6 t -70.71 -51.07 39.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.05 -34.04 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.254 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.1 m-20 -66.33 -48.26 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.608 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.65 -58.62 6.52 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.7 mt -59.47 -29.36 67.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.637 ' HB1' ' CE1' ' A' ' 40' ' ' PHE . . . -77.48 -25.18 50.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -80.96 -27.07 36.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.61 1.194 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -84.02 -42.81 15.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.567 1.167 . . . . 0.0 110.316 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.81 -44.05 56.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.45 -8.04 80.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.942 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.82 146.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.97 85.23 3.46 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.914 ' CD2' ' HB3' ' A' ' 51' ' ' ALA . 58.6 m-85 -62.57 -173.85 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -155.31 -169.37 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.962 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -167.74 122.73 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -119.81 -174.61 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.657 179.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.07 -179.8 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 69.47 -72.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.539 ' O ' HD11 ' A' ' 79' ' ' LEU . 6.4 p -150.53 33.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 43' ' ' HIS . . . -107.1 -57.83 0.6 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.89 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 47.2 -173.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 0.74 . . . . 0.0 109.373 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -73.34 137.7 44.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 179.956 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.616 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -174.37 166.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.347 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.914 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . . . -171.52 126.59 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.214 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.41 150.69 25.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.427 1.079 . . . . 0.0 110.406 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 60' ' ' LEU . . . -139.93 129.77 4.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.587 1.179 . . . . 0.0 111.017 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.26 99.03 3.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 0.779 . . . . 0.0 110.305 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 57' ' ' GLY . 65.6 p -169.08 -160.51 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.928 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 42.79 27.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 63.14 48.56 78.82 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.135 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 172.13 154.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 0.716 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -79.92 177.06 9.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.072 179.948 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER 173.96 123.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.334 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG1' ' HG ' ' A' ' 6' ' ' LEU . 2.3 t -106.93 115.95 49.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.82 HD22 ' HB ' ' A' ' 7' ' ' VAL . 2.2 mm? -93.52 120.79 34.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.438 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . . . -127.99 167.02 17.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 178.66 115.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.238 -179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.89 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.3 Cg_endo -74.98 -156.89 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.475 ' C ' ' N ' ' A' ' 68' ' ' TYR . 24.2 mmt85 -83.55 -84.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.658 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -46.39 -20.91 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 108.312 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.71 ' O ' ' N ' ' A' ' 72' ' ' SER . 11.8 m-85 63.12 -78.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.675 ' HA ' HD13 ' A' ' 10' ' ' LEU . 1.5 ttp -38.6 -97.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.596 ' HB2' ' HE1' ' A' ' 69' ' ' MET . 10.0 t-20 -60.92 -31.91 71.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.694 ' O ' ' HB2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -59.03 -47.1 86.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 -179.952 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.71 ' N ' ' O ' ' A' ' 68' ' ' TYR . 43.9 t -64.24 -53.45 48.88 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.931 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.836 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -44.22 -52.14 7.22 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.515 1.135 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.996 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -78.18 -47.15 18.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 0.803 . . . . 0.0 110.264 -179.947 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.694 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 2.4 mm-40 -48.91 -48.86 42.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.778 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.2 OUTLIER -67.32 -47.95 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.261 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.514 ' HA3' ' HB1' ' A' ' 124' ' ' ALA . . . -28.92 -68.34 0.08 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.415 1.072 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.996 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.2 Cg_endo -75.04 -46.97 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -53.87 -40.14 66.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.352 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.778 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.46 59.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.75 -15.97 61.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.233 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.672 ' N ' ' O ' ' A' ' 78' ' ' PRO . 2.9 t80 -76.32 -44.02 38.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -81.41 3.87 22.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.3 t 51.16 45.38 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 109.961 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 25.3 t -110.45 151.02 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.6 157.69 63.96 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.519 ' CG ' ' HB3' ' A' ' 128' ' ' LYS . 18.0 Cg_endo -74.96 -17.1 19.92 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.21 -8.65 33.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.847 ' O ' HD12 ' A' ' 5' ' ' LEU . 13.9 m-20 -114.65 -14.58 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 67.6 mt -89.15 121.9 39.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.755 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.7 OUTLIER -125.34 119.16 54.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 9.5 p -101.37 121.69 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.006 HG22 ' HB ' ' A' ' 133' ' ' VAL . 1.1 pt -100.81 142.22 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.911 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.9 t-160 -157.44 -178.18 7.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.432 1.083 . . . . 0.0 109.675 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.588 ' CB ' HD12 ' A' ' 24' ' ' LEU . 1.5 p30 -107.41 140.12 40.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 135' ' ' ILE . 11.7 t0 -145.76 152.74 40.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.624 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.7 OUTLIER -86.63 115.22 23.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.46 -83.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 139' ' ' ARG . 2.8 mt -129.67 -81.73 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.1 mp0 -94.06 173.09 7.83 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.092 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -96.65 31.52 2.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.987 -179.921 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.533 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -150.44 45.13 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 135' ' ' ILE . 0.6 OUTLIER -138.59 157.58 45.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 0.803 . . . . 0.0 110.277 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.942 HG22 HG13 ' A' ' 135' ' ' ILE . 0.9 OUTLIER -123.31 159.55 27.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.915 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.617 ' C ' HD13 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -147.63 108.6 4.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.584 1.178 . . . . 0.0 110.344 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 1.095 ' HB3' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -112.73 140.78 47.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 0.6 OUTLIER -144.12 -174.98 4.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.703 HG23 ' H ' ' A' ' 109' ' ' GLY . 1.1 tp -119.35 -85.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.703 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -118.81 67.5 0.37 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.32 -97.39 2.45 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.634 ' N ' HH12 ' A' ' 132' ' ' ARG . . . -157.54 132.02 3.07 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -46.62 -73.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 0.715 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.86 78.35 1.38 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 41.02 83.64 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.534 ' CE1' ' CE1' ' A' ' 94' ' ' HIS . 1.0 OUTLIER -167.43 110.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.394 0.702 . . . . 0.0 109.561 -179.923 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -63.1 -33.89 76.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.659 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -58.32 -63.53 5.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.671 ' O ' HG23 ' A' ' 122' ' ' VAL . 4.6 mt -54.59 -50.87 67.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -35.01 68.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.4 m -68.01 -34.33 76.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.944 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.836 HG22 ' HA2' ' A' ' 73' ' ' GLY . 46.1 t -71.23 -41.46 74.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.362 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.886 HG13 ' HE2' ' A' ' 130' ' ' PHE . 10.6 t -70.03 -29.48 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.24 -35.71 61.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -80.58 -47.13 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.688 HD21 ' CB ' ' A' ' 80' ' ' ALA . 14.6 mt -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.883 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 73.92 4.05 65.9 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.663 ' OG1' ' CE2' ' A' ' 130' ' ' PHE . 0.4 OUTLIER 73.76 139.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 0.81 . . . . 0.0 110.452 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.554 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 0.9 OUTLIER -169.0 28.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.682 ' O ' HD11 ' A' ' 108' ' ' ILE . 11.6 t0 86.47 22.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.366 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.886 ' HE2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -52.04 174.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 91' ' ' ILE . 58.7 mt-30 -119.21 150.7 39.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.216 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.634 HH12 ' N ' ' A' ' 111' ' ' GLY . 0.1 OUTLIER -138.94 151.18 46.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.339 179.952 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 1.095 HG22 ' HB3' ' A' ' 106' ' ' LEU . 10.8 t -136.68 80.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.223 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 105' ' ' ARG . 2.2 mpp_? -88.91 144.71 26.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.104 HD13 HD22 ' A' ' 24' ' ' LEU . 4.2 mp -98.32 150.51 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.455 ' O ' ' O ' ' A' ' 100' ' ' GLU . . . -95.05 101.23 2.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.897 HD11 HG21 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -107.61 103.43 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.572 0.807 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.528 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . -141.41 -118.23 1.42 Allowed Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.726 ' N ' ' HD3' ' A' ' 140' ' ' PRO . 0.0 OUTLIER 68.13 46.81 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 0.0 110.368 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.726 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -74.92 156.76 43.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.452 1.764 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.619 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.5 Cg_endo -74.94 -25.83 11.62 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.483 1.78 . . . . 0.0 111.046 179.921 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -175.13 -101.63 0.15 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -148.37 18.14 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 0.782 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 145' ' ' ASP . 0.0 OUTLIER -59.87 -60.84 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.649 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 3.3 m-20 -162.81 102.55 1.04 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -51.49 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -61.85 -43.46 98.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.649 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -60.39 -38.86 85.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.619 ' CD2' ' HD3' ' A' ' 141' ' ' PRO . 1.2 t80 -71.43 -29.01 64.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.897 HG21 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -73.88 -32.06 32.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 39.2 mt -94.65 30.45 2.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.238 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.537 ' O ' ' HB2' ' A' ' 153' ' ' ASN . 6.9 mm-40 -83.57 -100.11 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.657 ' C ' ' H ' ' A' ' 155' ' ' THR . 19.2 t30 160.02 57.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 -179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.881 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -65.97 27.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 111.005 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.657 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -11.93 -55.65 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.655 1.222 . . . . 0.0 110.423 -179.987 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.776 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.54 1.81 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.881 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -40.42 -29.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.585 ' O ' HG23 ' A' ' 162' ' ' VAL . 7.6 mt-10 -80.94 -42.56 21.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.268 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.027 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -74.44 -32.39 62.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.648 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -75.03 -41.02 60.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.887 ' O ' HG22 ' A' ' 165' ' ' ILE . 9.0 tp10 -78.05 -35.37 49.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.2 t -49.51 -52.5 49.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.228 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.027 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.91 -33.01 5.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.568 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 18.2 m -55.32 -53.28 58.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.605 1.19 . . . . 0.0 110.409 -179.949 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.887 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.06 -52.08 16.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.992 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.853 ' N ' HD13 ' A' ' 165' ' ' ILE . 56.0 m -45.84 -48.27 15.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.419 1.074 . . . . 0.0 108.298 -179.937 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.457 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.1 tt0 -64.79 -48.67 73.62 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.646 ' HB3' ' CZ2' ' A' ' 191' ' ' TRP . 0.6 OUTLIER -63.27 -47.81 80.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.486 ' CB ' HG12 ' A' ' 104' ' ' ILE . . . -68.94 -35.57 76.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -55.56 -48.13 75.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.8 t0 -67.62 -42.05 82.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.592 1.182 . . . . 0.0 109.365 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.888 ' CB ' HG23 ' A' ' 188' ' ' VAL . . . -64.38 -35.73 81.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 169' ' ' ALA . 1.6 m -64.07 -50.62 67.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.511 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.8 pt-20 -56.98 -47.01 81.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.562 ' HA ' ' HB2' ' A' ' 178' ' ' GLU . 0.6 OUTLIER -63.13 -35.44 80.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.71 ' O ' HD23 ' A' ' 176' ' ' LEU . 2.3 tt -56.87 -51.14 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.3 -27.09 35.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.1 OUTLIER -59.53 -72.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.277 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.66 -75.25 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 110.236 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -160.66 -170.61 25.5 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.417 ' O ' ' HB2' ' A' ' 185' ' ' GLN . 25.0 ptt? -89.43 -12.66 39.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.539 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.6 OUTLIER -50.81 -49.24 80.86 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.969 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.5 Cg_endo -74.96 -37.22 2.15 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.398 1.736 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -65.54 -44.32 87.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.8 tt0 -67.34 -37.09 82.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 1.013 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 23.5 t-20 -81.91 -24.4 35.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -98.55 -57.87 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.352 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.888 HG23 ' CB ' ' A' ' 172' ' ' ALA . 0.4 OUTLIER -65.31 -55.0 22.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.594 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.0 OUTLIER -70.09 -13.87 62.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 1.013 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -139.62 93.53 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.378 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.646 ' CZ2' ' HB3' ' A' ' 168' ' ' GLN . 20.0 m95 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.999 -179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.445 0.165 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.72 -173.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -121.72 158.11 55.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.419 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.7 Cg_endo -74.95 167.22 27.54 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.486 1.782 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 89' ' ' ASN . 1.1 mt -136.76 142.84 43.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.573 HD11 HG11 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -111.44 142.28 43.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.301 179.964 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.767 HG22 ' HA ' ' A' ' 62' ' ' LEU . 1.2 m -126.29 143.63 39.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.606 HG11 ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -134.06 122.19 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -92.75 108.18 3.62 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.544 1.153 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.913 HD13 ' HA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -89.58 94.13 9.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.402 0.707 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.421 ' N ' ' HB3' ' A' ' 68' ' ' TYR . . . -116.3 -149.63 9.31 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 22' ' ' HIS . 24.6 t-20 -136.61 127.16 16.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.417 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.4 Cg_endo -75.03 -24.92 12.3 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.72 178.61 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.55 1.156 . . . . 0.0 111.007 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' A' ' 17' ' ' TYR . . . -131.21 -179.0 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 m120 56.17 -83.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.893 ' CE1' HD22 ' A' ' 151' ' ' LEU . 4.1 t80 -68.39 -20.85 64.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.467 ' HB2' ' OD1' ' A' ' 12' ' ' ASN . . . -77.37 -40.75 42.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' O ' ' N ' ' A' ' 21' ' ' ARG . 5.1 tpt180 -51.38 -47.01 62.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.674 ' O ' ' HB3' ' A' ' 21' ' ' ARG . 63.5 p -24.83 -45.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.674 ' HB3' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER 165.63 -15.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.311 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' O ' ' N ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -54.27 -4.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.57 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.719 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.7 t-20 -111.29 35.89 3.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.884 HD12 HD13 ' A' ' 135' ' ' ILE . 0.5 OUTLIER -65.17 -67.6 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.174 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -34.74 -60.36 0.65 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -63.93 -35.57 81.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.0 t -59.67 -42.03 87.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.887 HG21 HD11 ' A' ' 93' ' ' ILE . 26.5 t -71.09 -50.22 43.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 33' ' ' ALA . . . -57.74 -45.71 85.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' ALA . 30.4 t0 -59.15 -43.49 92.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 -179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -59.22 -62.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.252 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.3 mt -58.5 -30.53 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.662 ' CB ' ' CE1' ' A' ' 40' ' ' PHE . . . -76.53 -24.52 53.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -79.6 -29.43 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -43.44 16.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -48.34 66.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.568 1.168 . . . . 0.0 109.355 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.34 -8.85 79.12 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -37.74 144.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -90.42 61.15 4.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.371 -179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.917 ' HA ' ' HB2' ' A' ' 51' ' ' ALA . 40.0 m-85 -34.41 152.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 110.979 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -115.54 178.42 4.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 109.336 179.922 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.59 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . . . -153.44 96.5 2.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 2.8 t60 179.82 -146.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.13 . . . . 0.0 109.647 179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 87.64 161.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.18 -27.87 9.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.373 1.046 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.866 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -82.14 -23.63 35.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.963 179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LYS . . . 58.98 70.1 1.09 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.55 1.156 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.829 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . -152.82 177.72 10.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.286 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.59 ' OE1' ' HB2' ' A' ' 42' ' ' ALA . 1.5 tp10 -89.47 149.32 22.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.6 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 10.5 p -175.01 158.37 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.28 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.917 ' HB2' ' HA ' ' A' ' 40' ' ' PHE . . . -163.67 128.91 2.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.34 126.76 30.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -114.32 107.47 1.85 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.64 107.76 17.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 110.27 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.51 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER 178.22 -155.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.009 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.457 ' O ' HG22 ' A' ' 177' ' ' ILE . . . 42.8 27.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.441 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.49 40.44 98.69 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.534 1.147 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.51 ' O ' ' O ' ' A' ' 55' ' ' SER . 0.0 OUTLIER 176.7 157.22 0.29 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 0.743 . . . . 0.0 110.318 -179.977 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -81.45 162.18 23.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.02 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -167.12 120.28 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.944 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.573 HG11 HD11 ' A' ' 6' ' ' LEU . 37.2 t -101.0 110.73 28.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.767 ' HA ' HG22 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -91.97 116.89 29.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.45 161.61 28.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.87 110.46 0.24 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.829 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.4 Cg_endo -75.03 -158.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.524 1.802 . . . . 0.0 110.947 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' C ' ' N ' ' A' ' 68' ' ' TYR . 35.3 mmt180 -84.92 -85.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.597 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -44.39 -22.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.41 1.069 . . . . 0.0 108.288 -179.996 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.729 ' O ' ' N ' ' A' ' 72' ' ' SER . 10.7 m-85 63.13 -80.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.943 179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.913 ' HA ' HD13 ' A' ' 10' ' ' LEU . 62.6 ttp -36.47 -88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.446 ' N ' ' HG2' ' A' ' 69' ' ' MET . 16.8 m120 -68.79 -34.88 76.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.592 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -57.61 -38.38 74.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.729 ' N ' ' O ' ' A' ' 68' ' ' TYR . 38.9 t -73.34 -55.78 5.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 124' ' ' ALA . . . -43.54 -52.05 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.977 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -74.18 -48.18 30.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.777 . . . . 0.0 110.253 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.564 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 1.9 tt0 -42.74 -51.29 5.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.356 179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 5.7 mt -67.21 -44.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.86 -69.61 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.12 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.977 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.94 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.461 1.769 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.866 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.88 -39.38 62.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.8 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -68.89 -48.67 62.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 109.212 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -15.24 59.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.74 ' N ' ' O ' ' A' ' 78' ' ' PRO . 4.9 t80 -76.95 -45.11 28.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 110.985 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.527 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 16.6 m-85 -84.99 -10.93 56.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t 54.1 50.3 16.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.036 -179.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.556 HG12 ' H ' ' A' ' 86' ' ' ALA . 2.2 t -95.98 173.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.556 ' H ' HG12 ' A' ' 85' ' ' VAL . . . -81.56 153.6 70.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -74.99 -34.32 3.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.19 2.61 6.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 109.361 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.717 ' HA ' HD23 ' A' ' 5' ' ' LEU . 57.2 m-20 -103.05 -22.03 13.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.357 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 47.4 mt -86.8 133.25 30.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.443 1.09 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -135.96 119.24 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 132' ' ' ARG . 7.3 p -108.12 123.69 63.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.887 HD11 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -103.65 146.59 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 1.019 ' O ' HD12 ' A' ' 135' ' ' ILE . 8.8 t-160 -152.93 -177.1 6.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.618 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.502 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 4.7 p-10 -110.24 141.42 43.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.238 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.546 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -149.33 157.41 43.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.49 113.25 25.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.478 ' O ' HD22 ' A' ' 99' ' ' LEU . 4.4 t0 -110.75 -70.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.66 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.5 OUTLIER -136.29 -88.43 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 138' ' ' GLY . 35.8 mp0 -94.44 175.51 6.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.575 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -92.97 59.07 3.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 111.068 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.498 ' HA2' HG21 ' A' ' 165' ' ' ILE . . . -178.19 40.63 0.09 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.573 1.17 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.627 ' O ' HG23 ' A' ' 135' ' ' ILE . 3.2 tpp85 -133.26 158.83 41.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.897 HG23 ' CG1' ' A' ' 165' ' ' ILE . 0.9 OUTLIER -122.98 160.13 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.508 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.8 OUTLIER -148.02 108.33 4.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.22 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.818 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -107.66 139.23 42.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 7.4 mtpt -153.15 -178.78 7.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.745 HG23 ' H ' ' A' ' 109' ' ' GLY . 2.2 tp -97.45 -90.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.745 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -140.49 51.3 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.602 1.188 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -102.81 49.72 0.95 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.6 -118.42 0.59 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.428 ' CD ' ' CZ ' ' A' ' 132' ' ' ARG . 2.5 mt-10 73.32 72.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.74 -76.82 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.44 1.088 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 115' ' ' HIS . . . -81.21 56.46 4.86 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.484 ' CG ' ' O ' ' A' ' 114' ' ' GLY . 15.2 m80 -157.67 105.31 2.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.428 0.723 . . . . 0.0 109.585 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.63 -44.07 80.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.414 ' HA3' HD22 ' A' ' 10' ' ' LEU . . . -55.47 -62.95 5.74 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.506 1.129 . . . . 0.0 111.052 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.582 HD13 ' HE ' ' A' ' 132' ' ' ARG . 9.7 mt -51.78 -45.38 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.223 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.7 mtt180 -58.65 -34.63 71.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 41.4 t -73.89 -30.23 62.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.773 HG13 HD12 ' A' ' 125' ' ' LEU . 2.2 t -69.8 -44.41 79.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.63 ' O ' ' CA ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -67.34 -39.95 83.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.14 -35.25 64.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -75.97 -51.5 12.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' A' ' 80' ' ' ALA . 16.0 mt -80.13 -21.45 43.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.63 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 83.7 0.22 89.78 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.447 1.092 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 86.04 121.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 110.365 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.72 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 4.1 mmtt -163.01 24.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.72 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 73.5 m-20 103.53 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.694 ' CZ ' ' HB3' ' A' ' 125' ' ' LEU . 32.1 m-85 53.7 149.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -107.66 159.61 16.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.582 ' HE ' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -139.2 148.69 43.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 106' ' ' LEU . 16.8 t -130.77 86.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.504 ' C ' ' HG3' ' A' ' 105' ' ' ARG . 3.8 mpp_? -86.3 163.49 17.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.019 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.7 mp -112.36 152.78 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -102.76 87.62 0.61 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.653 ' O ' HG12 ' A' ' 137' ' ' ILE . 0.1 OUTLIER -106.23 99.61 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.386 0.697 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.561 ' HA3' ' O ' ' A' ' 99' ' ' LEU . . . -125.8 -113.78 1.93 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.576 1.172 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.66 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER 77.13 62.26 0.22 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.734 . . . . 0.0 110.274 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.1 Cg_endo -75.08 142.3 27.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -75.03 -40.26 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 173.51 70.97 0.05 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.403 1.065 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 43.32 33.27 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.797 . . . . 0.0 110.35 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -87.55 -92.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 12.1 m-20 -130.66 99.85 18.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.408 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.95 -44.22 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.777 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -67.59 -46.96 71.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.63 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -54.86 -42.5 72.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 0.1 OUTLIER -74.93 -29.9 61.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 179.954 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.578 HG13 ' HE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -63.55 -33.81 63.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.893 HD22 ' CE1' ' A' ' 17' ' ' TYR . 11.6 mt -108.05 31.29 5.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.604 ' O ' HG22 ' A' ' 20' ' ' THR . 3.5 tp10 -68.81 -105.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.608 ' C ' ' H ' ' A' ' 155' ' ' THR . 14.3 t-20 167.02 50.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.872 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.4 OUTLIER -67.97 30.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.179 . . . . 0.0 110.98 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.67 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.7 OUTLIER -9.4 -56.28 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.795 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -74.95 -80.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.872 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -41.92 -28.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.624 ' HB2' ' C ' ' A' ' 154' ' ' PHE . 4.4 mt-10 -80.12 -42.42 23.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.001 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.1 OUTLIER -75.5 -31.91 60.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.69 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -74.52 -41.31 60.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.757 ' O ' HG22 ' A' ' 165' ' ' ILE . 1.8 mm-40 -77.81 -36.39 50.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.2 t -48.33 -51.09 53.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.001 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.4 Cg_endo -74.99 -35.16 3.31 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 54.4 m -53.79 -53.59 50.11 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.972 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -77.15 -45.33 30.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.972 ' N ' HD13 ' A' ' 165' ' ' ILE . 13.6 m -50.86 -53.35 33.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 108.27 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 164' ' ' THR . 3.2 pt-20 -59.5 -47.19 86.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.511 ' N ' ' CG ' ' A' ' 167' ' ' GLU . 0.0 OUTLIER -60.58 -48.12 83.17 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.954 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.657 ' HB1' HD13 ' A' ' 104' ' ' ILE . . . -68.06 -36.52 79.99 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -55.64 -43.78 76.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 174' ' ' GLU . 1.1 t0 -67.94 -45.48 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.047 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -60.15 -36.63 77.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.4 m -64.73 -52.73 55.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.652 ' HG3' ' N ' ' A' ' 175' ' ' LEU . 0.0 OUTLIER -56.29 -35.35 67.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.652 ' N ' ' HG3' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -72.98 -41.36 64.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.915 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.781 ' O ' HD23 ' A' ' 176' ' ' LEU . 4.1 tt -53.38 -42.48 66.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.457 HG22 ' O ' ' A' ' 56' ' ' ALA . 51.7 mt -77.82 -30.67 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.34 -32.36 73.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 110.309 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -159.6 -71.77 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 110.278 179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.454 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -158.92 175.11 35.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.515 ' O ' ' N ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -88.39 -16.6 32.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 111.034 -179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.546 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.8 OUTLIER -46.81 -48.53 50.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.951 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.547 ' HG2' HD23 ' A' ' 175' ' ' LEU . 18.5 Cg_endo -74.98 -39.88 1.08 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.462 1.769 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.845 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -64.44 -36.92 85.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.38 -40.12 67.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.226 -179.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.935 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.1 t-20 -79.43 -20.48 47.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -95.54 -53.01 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.047 HG21 ' HB2' ' A' ' 172' ' ' ALA . 46.5 t -88.87 -57.57 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 20.2 t-80 -70.29 22.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.935 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -90.86 -31.57 16.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.521 ' CZ2' ' HD3' ' A' ' 103' ' ' ARG . 3.3 p-90 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tpp . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.486 0.184 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.65 81.16 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -167.97 109.42 0.57 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.488 ' HA ' ' CD ' ' A' ' 58' ' ' ARG . 18.5 Cg_endo -74.99 -175.95 2.62 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.508 1.794 . . . . 0.0 111.083 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -122.77 125.94 46.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.755 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -111.77 138.61 48.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.78 HG12 ' CD1' ' A' ' 91' ' ' ILE . 0.2 OUTLIER -133.44 143.83 37.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 91' ' ' ILE . 0.0 OUTLIER -132.97 116.88 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.072 . . . . 0.0 109.336 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.43 ' O ' ' CB ' ' A' ' 64' ' ' LYS . . . -89.52 107.32 3.39 Favored Glycine 0 CA--C 1.532 1.125 0 O-C-N 124.502 1.126 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.783 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.57 105.24 17.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 22' ' ' HIS . . . -118.09 -147.34 8.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.517 ' OD1' ' HB2' ' A' ' 18' ' ' ALA . 21.6 t-20 -137.38 123.53 13.23 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 0.775 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HG3' ' C ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -75.0 -25.26 12.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.481 1.779 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 13' ' ' PRO . . . -58.42 -146.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.557 ' HA ' ' HB3' ' A' ' 18' ' ' ALA . . . -155.64 -76.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -42.68 -45.87 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -89.48 -19.45 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.557 ' HB3' ' HA ' ' A' ' 15' ' ' ALA . . . -74.73 -28.74 60.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 21' ' ' ARG . 15.8 mmt85 -58.16 -13.49 5.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 p -75.82 22.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.566 ' C ' ' H ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER 65.06 8.85 5.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.568 ' CE1' ' NE2' ' A' ' 94' ' ' HIS . 34.2 t-80 -69.2 11.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.635 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.73 ' OD1' HG23 ' A' ' 27' ' ' VAL . 24.1 t-20 -111.11 -0.16 16.67 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.785 ' HB3' HD13 ' A' ' 135' ' ' ILE . 0.3 OUTLIER -34.3 -59.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' LEU . . . -35.84 -58.99 0.93 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.623 ' CE2' ' OD2' ' A' ' 30' ' ' ASP . 30.5 t80 -80.79 -30.97 35.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.484 0.756 . . . . 0.0 111.036 -179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.73 HG23 ' OD1' ' A' ' 23' ' ' ASN . 1.0 OUTLIER -60.9 -47.28 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.943 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.724 HG13 HD12 ' A' ' 32' ' ' LEU . 2.1 t -74.36 -51.25 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.725 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -55.17 -35.25 64.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.623 ' OD2' ' CE2' ' A' ' 26' ' ' PHE . 57.3 m-20 -71.04 -56.0 7.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.55 1.156 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.828 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -56.37 -52.62 63.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.724 HD12 HG13 ' A' ' 28' ' ' VAL . 11.1 mt -58.35 -34.65 70.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . -73.47 -54.87 7.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.13 -23.34 20.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 5.5 mpt_? -90.88 -57.1 2.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -60.61 -17.3 46.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.8 -5.46 82.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.456 1.098 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' A' ' 36' ' ' LEU . . . -32.56 144.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 0.732 . . . . 0.0 109.325 179.909 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 52.79 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.681 ' HB3' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.35 -164.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 179.984 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.12 -162.91 1.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -124.44 106.26 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -66.3 110.11 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.59 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -63.09 -53.52 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.953 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -45.36 -71.76 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.817 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -60.31 -29.57 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.994 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 48' ' ' ALA . . . 73.03 70.46 1.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 47' ' ' GLY . . . 174.38 175.91 0.16 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.459 0.74 . . . . 0.0 109.398 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' HB1' ' A' ' 63' ' ' ALA . 1.8 mt-10 -85.21 145.96 27.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.598 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 10.3 m -145.11 118.63 2.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.681 ' CB ' ' HB3' ' A' ' 40' ' ' PHE . . . -114.08 110.73 20.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.35 124.95 40.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.591 1.182 . . . . 0.0 110.435 179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.76 -159.25 8.18 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 59' ' ' SER . 4.8 mtp180 -158.67 130.81 6.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 0.766 . . . . 0.0 110.359 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.443 ' C ' ' N ' ' A' ' 57' ' ' GLY . 0.4 OUTLIER -175.46 -170.86 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.488 ' H ' HG23 ' A' ' 177' ' ' ILE . . . 43.11 27.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 67.02 51.02 42.21 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER 164.32 156.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 0.759 . . . . 0.0 110.349 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.462 ' HA ' ' CG ' ' A' ' 54' ' ' ARG . 0.4 OUTLIER -52.2 165.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 1.4 pp -143.59 113.01 6.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.503 ' HB ' ' CD1' ' A' ' 6' ' ' LEU . 25.9 t -106.54 102.52 14.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.725 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -106.85 104.62 14.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 49' ' ' GLU . . . -120.48 173.54 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER 179.52 123.17 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.732 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -74.97 -160.99 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.508 ' C ' ' N ' ' A' ' 68' ' ' TYR . 57.2 mmt-85 -79.43 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -44.14 -23.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 108.265 -179.96 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.732 ' CE1' ' O ' ' A' ' 65' ' ' PRO . 15.4 m-85 63.19 -80.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.73 ' HA ' HD13 ' A' ' 10' ' ' LEU . 10.5 ttt -35.82 -93.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.667 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 1.7 t-20 -61.51 -41.43 97.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.624 ' O ' ' HB3' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -50.65 -48.8 58.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.705 ' N ' ' O ' ' A' ' 68' ' ' TYR . 35.9 t -61.07 -52.38 65.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.872 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.47 -51.1 3.8 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.967 ' O ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.05 -56.63 4.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 110.34 179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.644 ' HG3' ' N ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -39.68 -49.49 2.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.933 HG23 HD21 ' A' ' 125' ' ' LEU . 0.4 OUTLIER -68.76 -45.73 80.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.495 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -29.27 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.06 179.924 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.967 ' HD2' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -75.07 -47.37 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.447 1.762 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 46' ' ' SER . 0.2 OUTLIER -52.58 -39.78 61.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.763 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -68.33 -51.0 49.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.28 -15.79 60.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.725 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.8 t80 -75.8 -43.45 46.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -78.95 -10.69 59.89 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.7 t 50.92 45.97 26.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.474 HG13 HD21 ' A' ' 89' ' ' ASN . 4.4 p -105.09 169.09 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.562 ' O ' ' ND2' ' A' ' 89' ' ' ASN . . . -85.35 149.0 51.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.705 ' HB3' ' CE1' ' A' ' 130' ' ' PHE . 18.2 Cg_endo -75.06 -12.66 21.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.56 -18.87 62.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.755 ' O ' ' N ' ' A' ' 6' ' ' LEU . 0.9 OUTLIER -103.39 -11.77 17.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.608 ' CG2' ' CD2' ' A' ' 130' ' ' PHE . 0.7 OUTLIER -95.96 131.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.942 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.78 ' CD1' HG12 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -137.49 141.9 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.84 ' C ' HD13 ' A' ' 93' ' ' ILE . 22.0 t -113.51 131.19 66.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.84 HD13 ' C ' ' A' ' 92' ' ' VAL . 0.4 OUTLIER -103.44 138.91 25.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.918 ' O ' HD12 ' A' ' 135' ' ' ILE . 5.5 t-160 -159.83 172.13 18.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.57 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.753 ' OD1' HD13 ' A' ' 137' ' ' ILE . 9.2 t70 -111.45 141.73 44.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 137' ' ' ILE . 13.5 t0 -141.96 151.85 42.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.701 HD22 HG21 ' A' ' 150' ' ' VAL . 0.8 OUTLIER -102.51 103.93 14.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.414 ' C ' ' HA3' ' A' ' 138' ' ' GLY . 0.6 OUTLIER -106.21 -82.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.4 OUTLIER -137.83 -44.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 136' ' ' GLY . 1.0 OUTLIER -87.39 125.66 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.25 179.996 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 154' ' ' PHE . 1.5 t80 -90.96 33.62 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.499 ' O ' ' HB ' ' A' ' 165' ' ' ILE . . . -178.79 49.22 0.09 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 135' ' ' ILE . 21.7 mmt-85 -135.95 173.65 11.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.87 HG23 HD11 ' A' ' 165' ' ' ILE . 1.5 pp -123.82 156.27 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.378 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.0 OUTLIER -145.92 113.44 6.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.344 -179.982 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.872 ' O ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -120.27 127.86 52.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.66 166.4 24.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.173 . . . . 0.0 109.277 179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.567 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.1 OUTLIER -94.68 -55.5 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.34 60.63 0.67 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.596 1.185 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.26 88.52 0.11 Allowed Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.94 -150.97 9.57 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 44.21 67.31 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 0.776 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -70.97 -49.76 26.56 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 176.12 66.3 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.464 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -118.84 147.31 44.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 0.758 . . . . 0.0 109.547 -179.933 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.418 ' O ' ' N ' ' A' ' 120' ' ' SER . 6.2 m-20 -55.34 -63.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.511 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -56.74 -52.67 49.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.662 ' O ' HG12 ' A' ' 121' ' ' VAL . 11.9 mt -52.1 -50.58 61.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.386 179.918 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -67.96 -33.56 74.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.18 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 116' ' ' ASN . 33.5 t -72.51 -28.27 62.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.981 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.872 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -74.12 -43.18 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.937 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 126' ' ' GLY . 89.7 t -70.38 -30.62 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.8 -35.88 62.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -82.56 -43.25 17.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 130' ' ' PHE . 20.8 mt -79.61 -24.79 41.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 70.77 5.84 58.01 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.568 1.167 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.535 ' O ' ' CD ' ' A' ' 128' ' ' LYS . 0.3 OUTLIER 56.83 158.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.783 . . . . 0.0 110.404 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.626 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 5.7 tptt 170.14 35.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.626 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 4.9 t70 92.31 19.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 1.061 ' CE2' HD13 ' A' ' 125' ' ' LEU . 28.3 m-85 -54.37 166.29 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.521 ' OE1' HG22 ' A' ' 91' ' ' ILE . 75.4 mt-30 -109.89 154.65 22.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.55 147.4 34.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.348 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.805 ' HB ' HD12 ' A' ' 93' ' ' ILE . 58.5 t -135.41 83.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 94' ' ' HIS . 0.2 OUTLIER -90.53 144.06 26.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.341 -179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.918 HD12 ' O ' ' A' ' 94' ' ' HIS . 4.8 mp -95.52 149.46 4.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -93.67 107.18 3.51 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.418 1.074 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.753 HD13 ' OD1' ' A' ' 95' ' ' ASP . 1.0 OUTLIER -116.6 19.01 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.46 ' HA3' ' N ' ' A' ' 99' ' ' LEU . . . -58.49 -154.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.521 ' CB ' ' HB2' ' A' ' 101' ' ' PHE . 0.8 OUTLIER 78.18 81.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.29 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.24 13.11 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.55 1.816 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -79.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.565 1.824 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.414 ' C ' ' N ' ' A' ' 144' ' ' LYS . . . 178.83 79.03 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.502 1.126 . . . . 0.0 110.949 -179.925 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 43.58 26.24 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.289 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 142' ' ' GLY . 0.8 OUTLIER -95.64 -79.53 0.44 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.939 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 1.02 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 1.0 OUTLIER -149.62 97.25 3.52 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 150' ' ' VAL . 18.5 Cg_endo -74.86 -60.63 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.453 1.765 . . . . 0.0 111.073 179.926 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.95 -42.84 80.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 1.02 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -59.45 -42.17 91.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 145' ' ' ASP . 1.4 t80 -77.28 -27.71 53.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.701 HG21 HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -69.16 -30.74 47.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.153 . . . . 0.0 109.374 179.962 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 151' ' ' LEU . 13.7 mt -83.24 7.86 15.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.559 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 4.9 tp10 -109.65 -117.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.559 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 6.0 t-20 152.08 144.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 1.033 ' CG ' ' HB3' ' A' ' 157' ' ' ALA . 0.0 OUTLIER -79.03 39.84 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.68 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -6.42 -58.19 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.772 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.2 Cg_endo -75.02 -78.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 1.033 ' HB3' ' CG ' ' A' ' 154' ' ' PHE . . . -44.34 -29.67 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.647 ' O ' ' N ' ' A' ' 162' ' ' VAL . 0.3 OUTLIER -78.47 -37.35 43.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.979 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.002 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.2 OUTLIER -57.93 -45.67 86.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.68 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -77.77 -33.85 52.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 1.04 ' O ' HG22 ' A' ' 165' ' ' ILE . 78.9 mt-10 -75.08 -38.28 61.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.349 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.647 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.3 t -52.47 -52.78 60.22 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.002 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.93 -26.45 11.06 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.636 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 2.6 m -64.58 -58.05 7.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 110.36 -179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 1.04 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -69.0 -54.43 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.231 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.684 ' N ' HD13 ' A' ' 165' ' ' ILE . 61.5 m -43.61 -44.0 6.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.06 -42.4 84.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.569 1.168 . . . . 0.0 110.352 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 165' ' ' ILE . 0.1 OUTLIER -67.35 -46.87 72.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.853 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -66.94 -36.42 82.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -63.44 -38.14 89.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 1.2 t0 -68.02 -43.94 77.66 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.056 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.22 -42.66 86.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.3 m -65.39 -52.22 54.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.8 OUTLIER -56.68 -48.27 78.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.993 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.2 OUTLIER -63.13 -37.97 89.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.759 ' O ' HD23 ' A' ' 176' ' ' LEU . 3.6 tt -55.64 -44.62 77.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.488 HG23 ' H ' ' A' ' 56' ' ' ALA . 9.2 mt -73.55 -27.84 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.94 -41.84 97.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -150.76 -71.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.09 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.439 ' O ' ' HD2' ' A' ' 183' ' ' PRO . . . -155.96 176.33 33.47 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.523 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.409 ' HB3' ' HG ' ' A' ' 176' ' ' LEU . 8.1 ptp -89.14 -15.38 33.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.569 0.805 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.552 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 1.0 OUTLIER -46.41 -48.12 46.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.299 179.935 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 182' ' ' GLU . 18.2 Cg_endo -74.93 -39.1 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.664 ' HB1' ' HB1' ' A' ' 172' ' ' ALA . . . -62.52 -38.34 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.599 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 1.8 tt0 -73.32 -39.56 65.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.886 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 35.1 m-20 -79.54 -19.54 49.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.2 OUTLIER -98.61 -53.17 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.244 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.056 HG21 ' HB2' ' A' ' 172' ' ' ALA . 18.9 t -87.19 -66.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.599 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 9.8 t-80 -53.48 -12.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.672 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -117.45 67.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.237 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.672 ' CD1' ' NH2' ' A' ' 103' ' ' ARG . 19.4 m-90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.015 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mtp . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.496 0.189 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.32 80.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -158.87 95.22 1.8 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.602 1.189 . . . . 0.0 110.264 179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.481 ' O ' ' CB ' ' A' ' 89' ' ' ASN . 18.2 Cg_endo -74.98 152.5 40.97 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.649 ' HA ' ' HB2' ' A' ' 89' ' ' ASN . 0.2 OUTLIER -119.59 126.97 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 109.252 179.998 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.755 HD22 HG12 ' A' ' 90' ' ' ILE . 0.3 OUTLIER -104.33 143.74 32.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.974 HG12 ' CG1' ' A' ' 91' ' ' ILE . 3.7 m -131.32 140.43 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.546 ' HA ' ' O ' ' A' ' 63' ' ' ALA . 0.0 OUTLIER -135.45 120.4 28.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 -179.957 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.41 110.39 3.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.588 1.18 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.887 HD13 ' CA ' ' A' ' 69' ' ' MET . 0.0 OUTLIER -97.44 98.55 10.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.368 179.978 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -118.67 -148.54 8.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.63 ' HB3' ' HB1' ' A' ' 18' ' ' ALA . 20.9 t-20 -129.81 119.83 19.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.499 0.764 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.434 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.5 Cg_endo -75.02 150.72 38.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.451 1.763 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 43.3 -164.92 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.408 1.067 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 60.6 104.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 0.781 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -56.39 -17.83 9.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE1' ' HB3' ' A' ' 151' ' ' LEU . 10.7 t80 -68.05 -17.59 64.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 12' ' ' ASN . . . -71.09 -36.36 72.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 21' ' ' ARG . 4.0 tpt85 -44.88 -44.48 9.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.571 HG21 ' O ' ' A' ' 151' ' ' LEU . 62.8 p -34.12 -34.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.529 1.143 . . . . 0.0 110.463 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.814 ' O ' HD23 ' A' ' 24' ' ' LEU . 2.2 mtt-85 155.89 -16.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.609 ' CE1' HD21 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -58.3 0.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.636 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.681 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -117.36 30.14 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -58.44 -55.92 28.75 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.508 1.13 . . . . 0.0 109.227 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' HA2' ' CG1' ' A' ' 93' ' ' ILE . . . -37.46 -64.83 0.68 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 111.067 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.419 ' CD1' ' HD2' ' A' ' 64' ' ' LYS . 6.1 t80 -69.76 -31.15 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.796 . . . . 0.0 111.021 179.93 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 23' ' ' ASN . 2.3 t -60.82 -41.17 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.523 ' HB ' HD11 ' A' ' 93' ' ' ILE . 9.0 t -73.02 -51.39 26.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -59.03 -32.6 69.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.584 ' O ' ' N ' ' A' ' 34' ' ' ALA . 14.3 m-20 -68.55 -49.53 58.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.21 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -51.36 -56.33 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.92 -55.83 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.91 -20.1 61.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.228 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.584 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -81.22 -29.59 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.53 -42.68 9.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.08 -20.92 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.931 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.61 25.4 55.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.39 1.056 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -47.82 174.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.511 0.771 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.44 61.3 1.62 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.722 ' CB ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -80.1 -162.52 0.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.496 1.123 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -155.28 -165.41 2.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HA ' ' O ' ' A' ' 48' ' ' ALA . . . -166.71 142.47 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.344 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' ALA . 6.0 t-80 -136.11 179.06 6.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.604 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.42 -165.05 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 44' ' ' LYS . 1.2 tpm_? 34.65 -139.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.417 ' H ' ' CG ' ' A' ' 45' ' ' ARG . 84.7 p -72.53 52.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 48' ' ' ALA . . . -128.99 -66.32 0.11 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.756 ' HB1' ' HA ' ' A' ' 65' ' ' PRO . . . 43.83 -170.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.614 0.832 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -72.09 143.25 49.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -160.95 133.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.722 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -136.77 121.93 19.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.61 126.31 44.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.425 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -147.36 134.33 5.13 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' SER . 3.5 mtp180 -111.79 110.86 21.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 0.812 . . . . 0.0 110.276 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 58' ' ' ARG . 3.9 m -164.98 -176.89 4.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.981 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 56.49 17.63 3.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.259 179.901 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.16 38.86 38.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 55' ' ' SER . 1.5 tpm_? 177.22 158.52 0.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.41 0.712 . . . . 0.0 110.282 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 1.6 t -74.46 168.82 18.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.04 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.1 pp -152.63 115.79 4.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.601 1.188 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.706 HG11 HD11 ' A' ' 6' ' ' LEU . 73.4 t -108.15 91.52 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.95 ' HA ' HG23 ' A' ' 7' ' ' VAL . 1.1 tm? -86.22 110.93 19.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.55 ' HB2' ' CG1' ' A' ' 50' ' ' VAL . . . -126.1 173.98 8.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.611 ' CE ' HD11 ' A' ' 62' ' ' LEU . 1.4 pttp 173.14 119.0 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.756 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 18.1 Cg_endo -75.13 -158.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.458 1.767 . . . . 0.0 110.982 -179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.538 ' C ' ' N ' ' A' ' 68' ' ' TYR . 31.1 mmt180 -80.08 -85.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.558 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -47.79 -15.93 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 108.338 179.947 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.635 ' O ' ' N ' ' A' ' 72' ' ' SER . 8.5 m-85 60.3 -82.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.948 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.887 ' CA ' HD13 ' A' ' 10' ' ' LEU . 36.3 ttp -39.27 -90.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.689 ' O ' ' CD ' ' A' ' 74' ' ' ARG . 26.3 m-20 -60.21 -44.45 95.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HB2' ' CB ' ' A' ' 67' ' ' CYS . 0.2 OUTLIER -48.88 -42.99 38.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.258 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.635 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.5 m -64.7 -54.8 25.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 109.948 -179.927 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.846 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.3 -52.38 3.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.609 1.193 . . . . 0.0 111.024 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.978 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.62 -54.63 6.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 0.757 . . . . 0.0 110.295 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.572 ' O ' ' HG ' ' A' ' 79' ' ' LEU . 8.1 mm-40 -43.01 -48.65 6.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.245 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.728 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.4 mt -68.0 -44.16 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -32.4 -67.54 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.539 1.15 . . . . 0.0 111.025 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.978 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.4 Cg_endo -74.92 -47.34 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -52.65 -42.18 64.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.804 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -66.78 -49.61 65.32 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -16.42 60.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.731 ' N ' ' O ' ' A' ' 78' ' ' PRO . 7.1 t80 -75.98 -37.56 58.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -77.06 -9.53 58.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 50.6 p 48.55 45.25 21.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.562 1.164 . . . . 0.0 109.993 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -126.62 173.23 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.938 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' O ' ' CG ' ' A' ' 89' ' ' ASN . . . -79.7 129.59 70.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.606 ' HA ' HD12 ' A' ' 90' ' ' ILE . 18.0 Cg_endo -74.98 -1.17 10.87 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.514 1.797 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.71 -8.94 47.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.219 -179.935 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 6' ' ' LEU . 9.6 p30 -101.79 -10.69 19.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.755 HG12 HD22 ' A' ' 6' ' ' LEU . 18.3 mt -85.76 134.65 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.974 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -136.26 115.1 15.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 133' ' ' VAL . 8.8 p -100.63 129.97 50.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.245 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.915 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.7 OUTLIER -107.13 145.76 14.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.992 ' O ' HD12 ' A' ' 135' ' ' ILE . 7.9 t-160 -153.65 169.08 24.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.462 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.4 p30 -104.93 143.7 32.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.676 ' O ' HD13 ' A' ' 137' ' ' ILE . 4.4 t0 -151.64 166.49 31.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.584 ' HB3' HG21 ' A' ' 150' ' ' VAL . 0.9 OUTLIER -98.66 114.02 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -108.39 -84.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.1 OUTLIER -138.16 -73.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -91.53 165.55 13.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.254 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.597 ' CD1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -95.27 123.92 39.04 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.755 ' O ' HD13 ' A' ' 165' ' ' ILE . . . 98.61 52.7 1.28 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.647 ' O ' ' N ' ' A' ' 136' ' ' GLY . 0.0 OUTLIER -135.26 126.97 29.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.757 HG12 ' HB2' ' A' ' 169' ' ' ALA . 1.1 pp -102.12 153.07 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -147.76 115.69 6.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.814 ' CB ' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.63 138.0 41.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 106' ' ' LEU . 12.8 mtpt -149.54 179.5 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.837 HD12 ' O ' ' A' ' 130' ' ' PHE . 1.4 tp -129.79 -87.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.766 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -61.83 -79.7 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -56.04 94.9 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.412 ' HA3' ' NH1' ' A' ' 132' ' ' ARG . . . -170.07 -149.37 6.32 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 43.91 64.81 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 110.274 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -71.92 -95.81 0.07 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -125.49 80.19 0.36 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.46 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 77.4 m-70 -137.79 126.13 23.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.606 -179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -63.23 -44.86 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.918 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.461 ' HA3' ' CG ' ' A' ' 69' ' ' MET . . . -62.72 -58.66 11.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.731 ' O ' HG12 ' A' ' 121' ' ' VAL . 12.4 mt -52.16 -46.83 65.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.517 ' O ' HG12 ' A' ' 122' ' ' VAL . 5.9 ttt180 -62.08 -32.31 72.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 124' ' ' ALA . 7.8 t -74.1 -27.4 60.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.846 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -72.92 -43.43 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.8 HG23 ' CZ ' ' A' ' 130' ' ' PHE . 0.3 OUTLIER -65.41 -44.86 94.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.967 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.421 ' N ' ' CG1' ' A' ' 122' ' ' VAL . . . -70.82 -35.85 72.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.241 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.567 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -70.23 -45.02 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.804 HD21 ' CB ' ' A' ' 80' ' ' ALA . 0.4 OUTLIER -81.0 -22.26 39.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.226 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.81 4.54 76.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.464 1.103 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER 77.72 122.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 0.77 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.582 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 21.1 tptt -167.84 30.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 128' ' ' LYS . 3.5 m-20 88.36 117.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.837 ' O ' HD12 ' A' ' 108' ' ' ILE . 43.0 p90 -167.56 160.18 12.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.513 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 0.3 OUTLIER -130.11 166.59 19.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.964 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.448 ' HB3' HG13 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -147.03 150.29 34.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 110.314 179.944 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.915 ' HB ' HG22 ' A' ' 93' ' ' ILE . 6.6 t -119.19 89.52 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 109.356 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 7.2 mtp180 -85.92 163.08 18.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.992 HD12 ' O ' ' A' ' 94' ' ' HIS . 2.0 mp -122.09 142.67 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.647 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -104.95 91.8 0.8 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.944 HD11 HG22 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -104.5 102.66 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.539 0.788 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.577 ' O ' ' CD2' ' A' ' 101' ' ' PHE . . . -121.26 -125.39 3.18 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.542 ' N ' ' O ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER 71.14 61.14 0.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.455 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -74.97 156.15 43.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.54 1.81 . . . . 0.0 110.956 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.63 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.4 Cg_endo -74.93 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.49 1.784 . . . . 0.0 111.039 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -161.47 25.96 0.26 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 73.97 3.05 4.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.577 0.81 . . . . 0.0 110.293 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.453 ' CG ' ' HG2' ' A' ' 141' ' ' PRO . 0.0 OUTLIER -58.16 -61.39 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.607 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -137.31 99.84 9.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.419 ' O ' ' HB ' ' A' ' 150' ' ' VAL . 18.4 Cg_endo -74.98 -46.42 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -65.52 -43.85 88.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.607 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -57.17 -43.85 82.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.63 ' CD2' ' HD3' ' A' ' 141' ' ' PRO . 0.1 OUTLIER -76.66 -25.07 53.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 111.02 179.987 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.944 HG22 HD11 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -63.67 -43.24 98.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.609 HD21 ' CE1' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -110.7 35.16 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.612 1.195 . . . . 0.0 109.297 179.94 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.594 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.0 OUTLIER -56.38 -81.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.348 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.651 ' C ' ' H ' ' A' ' 155' ' ' THR . 11.3 t-20 148.69 50.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.805 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.2 OUTLIER -66.65 27.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 -179.976 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.651 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.76 -51.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.457 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.71 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.3 Cg_endo -75.05 -71.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.516 1.798 . . . . 0.0 111.017 179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.805 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.15 -42.62 9.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.677 ' O ' ' N ' ' A' ' 162' ' ' VAL . 20.3 mt-10 -73.59 -30.91 63.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 1.038 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -61.04 -38.96 88.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.627 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -79.13 -36.23 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.391 179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.537 ' HA ' ' HB ' ' A' ' 164' ' ' THR . 1.8 mm-40 -77.93 -33.9 51.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 158' ' ' GLU . 1.5 t -55.69 -53.15 65.86 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.941 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.038 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.3 Cg_endo -74.96 -31.11 6.54 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.537 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 1.4 m -69.84 -49.55 51.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.755 HD13 ' O ' ' A' ' 102' ' ' GLY . 5.3 tp -72.85 -58.95 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.584 ' HB3' HD22 ' A' ' 31' ' ' LEU . 87.5 m -44.61 -47.76 10.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' ' 163' ' ' PRO . 2.0 tt0 -58.59 -47.76 83.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.603 ' CG ' ' CH2' ' A' ' 191' ' ' TRP . 1.1 tp60 -65.19 -42.68 93.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.757 ' HB2' HG12 ' A' ' 104' ' ' ILE . . . -68.63 -40.65 80.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 166' ' ' CYS . . . -56.35 -42.68 78.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 11.3 m-20 -67.37 -44.63 78.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.997 ' HB2' HG21 ' A' ' 188' ' ' VAL . . . -58.29 -43.05 87.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 21.5 m -62.84 -52.19 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.403 -179.977 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.469 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.4 pt-20 -60.08 -44.58 94.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.323 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.469 ' N ' ' CG ' ' A' ' 174' ' ' GLU . 0.3 OUTLIER -67.99 -42.79 80.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.706 ' C ' HD23 ' A' ' 176' ' ' LEU . 3.4 tt -50.2 -48.26 54.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.3 mt -74.22 -28.27 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.89 -31.23 72.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -154.84 -72.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 176' ' ' LEU . . . -163.75 173.02 39.78 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.5 1.125 . . . . 0.0 111.085 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 185' ' ' GLN . 1.9 ppp? -84.27 -28.0 27.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.504 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -38.73 -51.62 3.75 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.96 -37.74 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.615 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -62.83 -38.53 91.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.627 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.6 tt0 -72.05 -40.74 68.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.805 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 52.0 m-20 -78.06 -21.12 51.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.512 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -95.58 -52.37 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.997 HG21 ' HB2' ' A' ' 172' ' ' ALA . 41.8 t -89.11 -57.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.627 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 17.5 t-80 -67.16 21.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.6 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -140.15 78.63 1.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.603 ' CH2' ' CG ' ' A' ' 168' ' ' GLN . 14.0 m95 . . . . . 0 C--N 1.324 -0.51 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.5 0.191 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.62 91.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.128 . . . . 0.0 109.337 -179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -173.7 75.69 0.38 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.496 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 18.5 Cg_endo -74.94 166.2 29.74 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.57 1.826 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD23 HD22 ' A' ' 89' ' ' ASN . 0.3 OUTLIER -121.49 135.97 54.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 89' ' ' ASN . 0.3 OUTLIER -108.85 144.34 36.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.956 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.031 HG12 ' CG1' ' A' ' 91' ' ' ILE . 1.4 m -131.58 140.96 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 92' ' ' VAL . 0.0 OUTLIER -134.38 125.36 47.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.592 1.182 . . . . 0.0 109.295 179.993 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.01 113.72 4.8 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.456 1.097 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.629 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 0.1 OUTLIER -91.8 117.26 29.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.54 ' CA ' ' HA ' ' A' ' 23' ' ' ASN . . . -135.08 -141.24 4.36 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 15' ' ' ALA . 1.1 m-20 -137.56 126.56 14.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 0.763 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -74.91 93.01 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.611 1.848 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' PRO . . . 34.0 55.76 0.69 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.491 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . . . -101.43 150.58 22.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.381 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -60.71 -14.65 22.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.989 ' O ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -89.44 -17.99 27.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.0 -25.7 22.42 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' C ' ' H ' ' A' ' 21' ' ' ARG . 17.9 mmt180 -49.92 -43.24 49.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.989 HG22 ' O ' ' A' ' 17' ' ' TYR . 4.2 t -76.58 26.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.377 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.824 ' HB3' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER 64.95 22.74 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.951 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.412 ' HB3' ' ND2' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -64.43 6.62 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.581 -179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.599 ' H ' ' C ' ' A' ' 21' ' ' ARG . 60.9 t30 -126.43 35.56 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.824 HD23 ' HB3' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -61.28 -48.67 80.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.576 1.173 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.835 ' HA2' HD11 ' A' ' 93' ' ' ILE . . . -47.77 -47.06 24.95 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.444 1.09 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.523 ' O ' ' CB ' ' A' ' 30' ' ' ASP . 8.8 t80 -82.83 -31.85 27.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.647 HG21 ' NH1' ' A' ' 21' ' ' ARG . 2.1 t -66.87 -37.74 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.807 HG23 HD13 ' A' ' 24' ' ' LEU . 16.2 t -78.85 -52.43 15.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 1.091 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -57.71 -34.88 69.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 34' ' ' ALA . 4.2 t70 -74.18 -49.13 24.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -55.74 -51.7 66.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.218 -179.956 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -57.89 -58.31 8.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' HB3' ' A' ' 38' ' ' ALA . . . -61.63 -18.25 58.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 30' ' ' ASP . . . -82.77 -26.7 31.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 6.5 mpt_? -99.38 -42.72 6.85 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 110.261 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -22.96 66.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.512 ' O ' ' C ' ' A' ' 38' ' ' ALA . . . 90.06 -4.02 82.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 37' ' ' GLY . . . -32.05 148.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.774 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.7 60.57 1.6 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.722 ' HB2' ' O ' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -79.46 -156.4 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.97 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -161.81 -161.36 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 49' ' ' GLU . . . -136.79 145.49 44.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.52 145.06 35.33 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.521 1.138 . . . . 0.0 109.552 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -86.41 -49.9 7.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.982 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 44' ' ' LYS . 4.6 mtt180 -38.3 -46.9 1.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.814 ' CB ' HD11 ' A' ' 79' ' ' LEU . 3.5 m -92.17 -30.62 15.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.95 66.23 2.09 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.552 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -174.72 -172.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.307 179.93 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.595 ' OE1' ' CZ ' ' A' ' 40' ' ' PHE . 2.0 mm-40 -112.8 149.48 32.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 40' ' ' PHE . 34.5 m -148.32 151.07 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.658 ' HB2' ' CB ' ' A' ' 40' ' ' PHE . . . -145.72 124.37 12.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.03 124.43 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 110.388 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 60' ' ' LEU . . . -133.38 113.84 1.28 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.567 1.167 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -111.44 104.64 13.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -172.03 -159.12 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.545 ' CB ' HG22 ' A' ' 177' ' ' ILE . . . 40.68 29.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 55' ' ' SER . . . 61.0 48.1 87.94 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HB3' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER 168.27 154.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.472 0.748 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -81.46 165.75 20.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 53' ' ' GLY . 1.5 pp -154.73 109.28 3.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.45 HG11 HD11 ' A' ' 6' ' ' LEU . 39.7 t -102.56 95.24 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 1.091 HD11 ' HB1' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -88.28 115.32 25.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.566 ' HB2' HG12 ' A' ' 50' ' ' VAL . . . -125.8 171.35 10.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.822 ' NZ ' HD13 ' A' ' 62' ' ' LEU . 0.2 OUTLIER 179.21 112.94 0.19 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.689 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.05 -156.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.496 ' C ' ' N ' ' A' ' 68' ' ' TYR . 79.6 mmt-85 -83.17 -84.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.219 -179.883 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.594 ' CB ' ' HB2' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -47.96 -18.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.333 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.753 ' O ' ' N ' ' A' ' 72' ' ' SER . 20.2 m-85 60.92 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.143 . . . . 0.0 110.972 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' CYS . 0.0 OUTLIER -37.5 -82.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -70.65 -39.73 73.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.613 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -56.07 -36.62 68.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.262 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.753 ' N ' ' O ' ' A' ' 68' ' ' TYR . 48.1 t -72.26 -56.78 4.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 110.018 179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.871 ' HA2' HG23 ' A' ' 121' ' ' VAL . . . -40.88 -52.1 3.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.966 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -76.46 -48.57 19.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.613 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 3.0 tm0? -45.64 -49.63 14.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.784 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -67.67 -46.68 82.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -28.93 -68.4 0.08 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.966 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.5 Cg_endo -75.02 -47.3 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.814 HD11 ' CB ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.5 -40.2 65.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.784 ' N ' ' O ' ' A' ' 76' ' ' ILE . . . -67.44 -50.06 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -15.38 60.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.694 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.0 t80 -75.96 -45.01 37.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.595 1.184 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.584 ' HB3' ' CG2' ' A' ' 85' ' ' VAL . 14.8 m-85 -82.11 -12.21 58.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.165 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.9 p 55.98 52.33 10.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.585 1.178 . . . . 0.0 109.949 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.584 ' CG2' ' HB3' ' A' ' 83' ' ' TYR . 1.9 t -104.58 172.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.973 ' HB3' ' OD1' ' A' ' 89' ' ' ASN . . . -81.66 150.84 67.19 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 130' ' ' PHE . 18.4 Cg_endo -74.93 -30.43 7.3 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.781 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.35 2.53 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.973 ' OD1' ' HB3' ' A' ' 86' ' ' ALA . 17.7 m120 -101.98 -20.56 14.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 7.4 mt -88.99 135.42 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.031 ' CG1' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -135.81 122.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 133' ' ' VAL . 10.0 p -104.62 137.05 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.002 HG22 ' HB ' ' A' ' 133' ' ' VAL . 0.5 OUTLIER -116.35 147.83 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.836 ' O ' HD12 ' A' ' 135' ' ' ILE . 12.9 t-160 -155.78 164.01 39.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.619 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.642 ' OD2' HG21 ' A' ' 137' ' ' ILE . 0.0 OUTLIER -95.92 143.48 27.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -161.86 155.05 20.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 179.964 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.915 HD12 ' HD3' ' A' ' 140' ' ' PRO . 0.6 OUTLIER -87.62 115.72 25.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.335 -179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.733 ' O ' HD22 ' A' ' 99' ' ' LEU . 0.4 OUTLIER -119.45 -65.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.96 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 98' ' ' ASP . 4.0 mm? -126.67 -103.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.276 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' A' ' 138' ' ' GLY . 19.6 mp0 -91.61 165.77 13.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' O ' ' CG ' ' A' ' 161' ' ' GLU . 4.0 m-85 -84.79 75.19 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.948 -179.925 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.669 ' O ' ' CH2' ' A' ' 191' ' ' TRP . . . 159.59 41.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.705 HH21 HD23 ' A' ' 99' ' ' LEU . 4.4 tmm_? -134.76 157.23 47.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 0.776 . . . . 0.0 110.244 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.714 ' CG2' HD11 ' A' ' 165' ' ' ILE . 0.9 OUTLIER -121.89 154.9 26.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 0.0 109.246 -179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 134' ' ' ARG . 5.9 ttt-85 -140.42 111.1 6.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.785 ' C ' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER -105.72 139.59 40.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.67 167.29 24.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.521 ' CG2' ' N ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -107.88 -55.4 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.521 ' N ' ' CG2' ' A' ' 108' ' ' ILE . . . -129.7 64.05 0.61 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.79 -102.61 0.31 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 173.35 98.52 0.11 Allowed Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -42.58 -30.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 0.75 . . . . 0.0 110.215 -179.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 75.5 -114.64 4.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.57 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -116.37 93.78 0.61 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 19.1 m-70 -150.6 138.88 20.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.756 . . . . 0.0 109.621 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 120' ' ' SER . 2.4 m-80 -71.31 -58.77 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.32 -58.08 10.49 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.748 ' O ' HG12 ' A' ' 121' ' ' VAL . 8.0 mt -54.44 -52.62 61.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 6.3 ttm180 -58.49 -33.11 69.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 116' ' ' ASN . 2.7 t -70.18 -29.82 66.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.871 HG23 ' HA2' ' A' ' 73' ' ' GLY . 0.3 OUTLIER -71.35 -43.2 73.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 126' ' ' GLY . 12.3 t -68.28 -32.96 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.55 -43.38 48.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -67.08 -45.98 75.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.967 HD13 ' CE2' ' A' ' 130' ' ' PHE . 16.5 mt -81.31 -21.09 39.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 122' ' ' VAL . . . 75.08 6.96 81.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.458 1.099 . . . . 0.0 111.027 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.419 ' OG1' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 71.89 126.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.359 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 1.0 OUTLIER -162.46 27.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.991 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 8.4 m-20 74.45 96.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 0.967 ' CE2' HD13 ' A' ' 125' ' ' LEU . 84.3 m-85 -122.71 -177.5 3.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.593 ' OE1' HG22 ' A' ' 91' ' ' ILE . 67.0 mt-30 -115.3 154.56 28.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 133' ' ' VAL . 4.6 ttp-105 -138.8 165.43 27.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 1.002 ' HB ' HG22 ' A' ' 93' ' ' ILE . 25.2 t -154.21 86.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -90.06 141.69 28.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 94' ' ' HIS . 1.7 mp -98.16 142.88 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.49 106.69 3.45 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.642 HG21 ' OD2' ' A' ' 95' ' ' ASP . 1.2 pp -113.11 92.73 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.498 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 64.01 175.02 3.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.555 ' O ' ' CE2' ' A' ' 149' ' ' PHE . 0.0 OUTLIER -146.0 158.78 48.14 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.556 0.797 . . . . 0.0 110.299 -179.947 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.915 ' HD3' HD12 ' A' ' 97' ' ' LEU . 18.5 Cg_endo -74.95 150.93 39.13 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 140' ' ' PRO . 18.3 Cg_endo -74.99 -27.55 9.93 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.464 1.771 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 172.0 69.76 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.435 1.084 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 51.9 20.8 1.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 110.342 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.8 -65.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.97 ' HB3' ' HB3' ' A' ' 148' ' ' ALA . 0.7 OUTLIER -158.92 95.53 1.77 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.424 ' HA ' HD11 ' A' ' 97' ' ' LEU . 18.5 Cg_endo -75.02 -57.51 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.461 1.769 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.58 -43.55 80.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.97 ' HB3' ' HB3' ' A' ' 145' ' ' ASP . . . -58.27 -39.82 80.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.365 1.041 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.555 ' CE2' ' O ' ' A' ' 139' ' ' ARG . 0.1 OUTLIER -70.74 -28.75 64.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.951 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.647 HG23 HD23 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -75.49 -27.89 19.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.647 HD22 ' CE1' ' A' ' 17' ' ' TYR . 35.9 mt -98.42 47.31 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 12.0 mm-40 -76.52 -108.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.571 ' O ' ' CG ' ' A' ' 153' ' ' ASN . 3.0 t-20 150.99 45.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.887 ' CD2' ' HB3' ' A' ' 157' ' ' ALA . 0.3 OUTLIER -74.17 30.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.963 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.649 ' C ' ' O ' ' A' ' 154' ' ' PHE . 0.8 OUTLIER -13.76 -54.76 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 0.0 110.373 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.827 ' O ' ' HG3' ' A' ' 159' ' ' ARG . 18.2 Cg_endo -75.03 -78.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.45 1.763 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.887 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -42.29 -29.24 0.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 162' ' ' VAL . 2.9 mm-40 -81.48 -42.32 20.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.991 ' O ' ' CD ' ' A' ' 163' ' ' PRO . 0.0 OUTLIER -73.41 -32.59 64.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.698 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -76.2 -40.54 52.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.602 ' O ' ' CG2' ' A' ' 165' ' ' ILE . 32.3 mm-40 -77.92 -35.22 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 158' ' ' GLU . 1.4 t -50.37 -50.84 68.8 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 109.373 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.991 ' CD ' ' O ' ' A' ' 159' ' ' ARG . 18.6 Cg_endo -75.0 -32.22 5.55 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.5 ' HB ' ' HA ' ' A' ' 161' ' ' GLU . 21.9 m -56.06 -53.98 50.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.795 HD13 ' N ' ' A' ' 166' ' ' CYS . 0.1 OUTLIER -76.75 -41.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.356 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.795 ' N ' HD13 ' A' ' 165' ' ' ILE . 46.6 t -49.81 -51.23 41.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 108.339 179.9 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.29 -52.01 60.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.09 -48.24 82.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 110.305 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.509 ' O ' ' HB ' ' A' ' 173' ' ' THR . . . -71.33 -32.2 68.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . 0.745 ' HB2' ' O ' ' A' ' 166' ' ' CYS . . . -54.71 -46.9 74.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.512 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 33.7 m-20 -71.55 -46.78 58.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 1.05 ' HB3' HG23 ' A' ' 188' ' ' VAL . . . -60.23 -48.98 79.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 170' ' ' ALA . 3.3 t -60.44 -39.94 89.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 0.2 OUTLIER -56.24 -49.42 74.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.945 HD21 ' HG2' ' A' ' 183' ' ' PRO . 0.3 OUTLIER -59.14 -46.72 87.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.837 HD22 ' HB1' ' A' ' 184' ' ' ALA . 0.7 OUTLIER -47.34 -55.94 7.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.545 HG22 ' CB ' ' A' ' 56' ' ' ALA . 58.5 mt -64.71 -25.16 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.642 ' HB2' ' HA ' ' A' ' 175' ' ' LEU . 0.4 OUTLIER -60.16 -75.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.955 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -179.11 25.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 110.272 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . 0.719 ' O ' HD12 ' A' ' 176' ' ' LEU . . . -122.93 165.1 15.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.541 ' HA ' ' CD1' ' A' ' 176' ' ' LEU . 6.1 ptt? -151.46 -41.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.504 0.767 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.582 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 2.4 tp10 -60.66 -46.96 97.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.945 ' HG2' HD21 ' A' ' 175' ' ' LEU . 18.3 Cg_endo -75.06 -36.17 2.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 111.037 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.837 ' HB1' HD22 ' A' ' 176' ' ' LEU . . . -61.89 -45.29 94.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 179.939 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.632 ' O ' ' HB3' ' A' ' 189' ' ' HIS . 2.5 tt0 -71.64 -36.93 70.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.922 ' O ' ' HB3' ' A' ' 190' ' ' ALA . 57.4 t30 -76.77 -23.1 52.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.937 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 183' ' ' PRO . 1.3 tpt180 -103.03 -55.98 2.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 179.94 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 1.05 HG23 ' HB3' ' A' ' 172' ' ' ALA . 0.5 OUTLIER -73.97 -58.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.632 ' HB3' ' O ' ' A' ' 185' ' ' GLN . 15.8 t-80 -72.18 -2.02 17.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 186' ' ' ASN . . . -142.54 99.89 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.669 ' CH2' ' O ' ' A' ' 102' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 107.971 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.446 0.165 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -175.08 145.9 0.83 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -179.93 80.49 0.19 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.377 -179.978 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.468 ' CB ' ' OG ' ' A' ' 59' ' ' SER . 18.3 Cg_endo -74.96 -162.6 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.462 1.769 . . . . 0.0 111.033 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.93 HD12 ' O ' ' A' ' 89' ' ' ASN . 0.1 OUTLIER -131.02 164.47 25.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 90' ' ' ILE . 0.2 OUTLIER -118.92 140.72 49.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 ' CG1' ' A' ' 91' ' ' ILE . 21.2 t -124.57 141.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.51 HG11 HG12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -130.48 124.43 57.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 109.346 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.06 111.1 4.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.803 ' CD1' HG13 ' A' ' 92' ' ' VAL . 2.1 mp -82.07 96.06 7.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 0.751 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.498 ' C ' ' CD2' ' A' ' 68' ' ' TYR . . . -108.67 -162.85 20.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.541 1.15 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 22' ' ' HIS . 34.5 t-20 -139.67 120.17 9.37 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.872 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.451 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 18.2 Cg_endo -74.96 3.91 5.18 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.475 1.776 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 12' ' ' ASN . . . -59.33 -156.09 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -149.61 -96.21 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -48.6 -36.26 15.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.406 ' CE1' HD22 ' A' ' 151' ' ' LEU . 8.2 t80 -88.34 -24.44 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.01 -26.11 59.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.294 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 21' ' ' ARG . 14.1 mmt180 -56.99 -15.42 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.462 ' CG2' ' HA ' ' A' ' 151' ' ' LEU . 70.5 p -74.37 12.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.416 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.666 ' HD3' HG11 ' A' ' 162' ' ' VAL . 0.0 OUTLIER 80.71 5.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 -179.956 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -56.14 -2.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.587 1.179 . . . . 0.0 109.622 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.609 ' H ' ' C ' ' A' ' 21' ' ' ARG . 6.1 p30 -97.41 6.39 48.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.391 1.057 . . . . 0.0 109.363 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.041 HD23 HD13 ' A' ' 135' ' ' ILE . 1.4 tp -36.61 -61.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.594 ' O ' ' HB2' ' A' ' 29' ' ' ALA . . . -41.44 -44.37 4.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASN . 14.6 t80 -82.02 -35.38 28.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 31' ' ' LEU . 1.7 t -67.38 -42.47 87.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.734 HG22 ' SG ' ' A' ' 166' ' ' CYS . 39.8 t -78.01 -36.63 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.092 . . . . 0.0 109.358 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.906 ' HB1' HD11 ' A' ' 62' ' ' LEU . . . -63.88 -47.36 80.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.596 ' O ' ' CB ' ' A' ' 34' ' ' ALA . 57.3 t0 -66.76 -43.14 84.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.514 ' CD2' ' HB3' ' A' ' 166' ' ' CYS . 0.0 OUTLIER -53.03 -56.39 16.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 8.8 mt -57.11 -59.07 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' O ' ' O ' ' A' ' 38' ' ' ALA . . . -60.29 -13.47 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 30' ' ' ASP . . . -94.24 -21.22 19.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.86 -38.79 8.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.572 HD12 ' N ' ' A' ' 54' ' ' ARG . 0.7 OUTLIER -52.72 -21.18 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.98 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.93 -9.32 78.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 52' ' ' THR . . . -83.66 145.4 28.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.574 0.808 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.48 64.27 1.25 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.603 ' CB ' ' HA ' ' A' ' 51' ' ' ALA . 1.1 t80 -51.61 -98.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' N ' ' CG ' ' A' ' 40' ' ' PHE . 0.0 OUTLIER -169.72 -168.34 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.765 ' HB2' ' CD ' ' A' ' 49' ' ' GLU . . . -134.42 152.47 51.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.556 ' HB3' ' O ' ' A' ' 42' ' ' ALA . 10.1 t-160 82.97 -42.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.623 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.576 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -51.03 179.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.576 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 10.6 tpt180 89.82 -71.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.651 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -172.93 32.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.57 57.15 1.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.565 ' CB ' ' HA ' ' A' ' 65' ' ' PRO . . . -179.15 172.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.765 ' CD ' ' HB2' ' A' ' 42' ' ' ALA . 2.2 tt0 -86.37 151.33 23.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 62.1 t -155.27 155.1 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HA ' ' CB ' ' A' ' 40' ' ' PHE . . . -168.07 110.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.575 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -63.23 164.58 8.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 110.336 -179.935 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.655 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -150.26 120.92 1.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.572 ' N ' HD12 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -110.12 116.56 31.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 0.752 . . . . 0.0 110.303 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 36' ' ' LEU . 0.6 OUTLIER 171.37 178.27 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.477 1.111 . . . . 0.0 109.955 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.509 ' HB1' ' HB ' ' A' ' 177' ' ' ILE . . . 60.92 13.15 4.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.62 33.88 37.0 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.449 1.093 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.463 ' O ' ' O ' ' A' ' 55' ' ' SER . 6.4 tpm_? -179.04 152.85 0.58 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 110.28 179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 4' ' ' PRO . 0.0 OUTLIER -81.94 173.19 12.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 -179.971 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 53' ' ' GLY . 0.6 OUTLIER -161.33 126.34 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.969 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.27 103.21 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.899 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.906 HD11 ' HB1' ' A' ' 29' ' ' ALA . 1.5 tm? -90.04 113.33 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' CB ' HG22 ' A' ' 50' ' ' VAL . . . -123.96 168.41 12.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 1.094 . . . . 0.0 109.246 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -177.82 117.89 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.708 ' O ' ' CE1' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -74.96 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' C ' ' N ' ' A' ' 68' ' ' TYR . 30.0 mmt180 -79.5 -84.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.548 ' O ' ' HB2' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -46.37 -20.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 108.298 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.74 ' O ' ' N ' ' A' ' 72' ' ' SER . 13.7 m-85 61.25 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 111.037 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 67' ' ' CYS . 1.0 OUTLIER -37.99 -92.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.06 -34.13 77.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.606 ' O ' ' CB ' ' A' ' 75' ' ' GLN . 0.1 OUTLIER -58.28 -41.68 84.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.74 ' N ' ' O ' ' A' ' 68' ' ' TYR . 44.4 t -68.86 -51.01 44.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.04 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.617 ' HA2' HG22 ' A' ' 121' ' ' VAL . . . -47.12 -51.23 14.63 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.994 ' O ' ' CD ' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -77.51 -47.02 20.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.606 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 5.7 tp60 -46.54 -49.97 17.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.757 ' O ' ' N ' ' A' ' 80' ' ' ALA . 26.4 mt -68.36 -44.85 83.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 76' ' ' ILE . . . -30.63 -68.15 0.11 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.92 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.994 ' CD ' ' O ' ' A' ' 74' ' ' ARG . 18.3 Cg_endo -74.97 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.574 1.829 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.651 HD11 ' HB2' ' A' ' 46' ' ' SER . 0.2 OUTLIER -53.1 -40.19 63.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.815 ' CB ' HD21 ' A' ' 125' ' ' LEU . . . -67.73 -51.04 53.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -16.86 61.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.669 ' N ' ' O ' ' A' ' 78' ' ' PRO . 3.5 t80 -75.27 -44.59 45.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.484 ' CE2' ' NH2' ' A' ' 45' ' ' ARG . 14.5 m-85 -85.99 -11.4 53.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.5 t 55.96 50.53 13.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.839 HG11 HD11 ' A' ' 90' ' ' ILE . 1.9 p -96.52 166.84 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.31 156.0 42.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.576 ' CG ' ' O ' ' A' ' 128' ' ' LYS . 18.3 Cg_endo -75.02 -12.77 21.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.42 1.747 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.07 0.12 33.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.245 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.93 ' O ' HD12 ' A' ' 5' ' ' LEU . 16.2 m-20 -120.1 -14.73 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.236 -179.93 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.839 HD11 HG11 ' A' ' 85' ' ' VAL . 51.1 mm -87.47 122.32 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.097 . . . . 0.0 109.349 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.975 ' CG1' HG13 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -128.97 115.06 35.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.803 HG13 ' CD1' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -101.76 117.69 47.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.921 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.67 ' HA ' ' O ' ' A' ' 133' ' ' VAL . 0.6 OUTLIER -100.84 141.81 16.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 0.0 109.288 -179.952 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 135' ' ' ILE . 0.7 OUTLIER -157.8 165.65 34.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.431 1.082 . . . . 0.0 109.54 179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.724 ' CB ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -90.27 142.16 28.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 137' ' ' ILE . 1.0 OUTLIER -150.14 153.2 35.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.597 HD21 ' CG2' ' A' ' 150' ' ' VAL . 4.0 mp -85.89 114.41 22.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -109.69 -83.87 0.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.542 1.151 . . . . 0.0 109.259 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.566 ' O ' ' N ' ' A' ' 139' ' ' ARG . 0.1 OUTLIER -136.23 -75.21 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 179.955 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' ' 138' ' ' GLY . 1.8 mt-10 -92.9 171.08 9.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.574 ' CE1' ' HB ' ' A' ' 137' ' ' ILE . 0.1 OUTLIER -94.11 49.86 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 -179.973 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -176.39 43.36 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.652 ' O ' HG23 ' A' ' 135' ' ' ILE . 9.6 tpt180 -130.17 161.79 30.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.883 HD13 ' CB ' ' A' ' 169' ' ' ALA . 0.6 OUTLIER -122.6 160.44 24.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.357 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.627 ' N ' ' O ' ' A' ' 134' ' ' ARG . 0.6 OUTLIER -151.18 94.12 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.337 -179.995 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.923 ' HB2' HG22 ' A' ' 133' ' ' VAL . 0.0 OUTLIER -104.36 143.75 32.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.506 ' N ' HD22 ' A' ' 106' ' ' LEU . 1.9 ttmt -154.15 174.81 14.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.686 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -102.93 -88.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.642 ' H ' HG23 ' A' ' 108' ' ' ILE . . . -131.09 42.1 1.44 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.01 -39.64 16.06 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.946 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.47 132.43 1.85 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' GLY . 0.3 OUTLIER -76.52 87.42 3.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.273 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 112' ' ' GLU . . . -37.32 -91.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.572 1.17 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.581 ' O ' ' CD2' ' A' ' 115' ' ' HIS . . . -58.13 -112.74 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 114' ' ' GLY . 1.4 m170 158.5 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 0.767 . . . . 0.0 109.607 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -55.16 -80.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.563 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -74.21 -28.6 63.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.885 ' O ' HG23 ' A' ' 122' ' ' VAL . 9.4 mt -64.38 -58.87 5.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 115' ' ' HIS . 2.5 ttt180 -65.8 -35.29 80.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 m -62.94 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.617 HG22 ' HA2' ' A' ' 73' ' ' GLY . 16.1 t -71.15 -41.03 75.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.245 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 118' ' ' LEU . 11.5 t -72.78 -26.01 23.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.57 -37.0 60.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 73' ' ' GLY . . . -82.49 -46.32 13.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 1.052 HD13 ' CE1' ' A' ' 130' ' ' PHE . 20.4 mt -79.43 -21.81 45.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.56 ' CA ' ' O ' ' A' ' 122' ' ' VAL . . . 76.1 7.29 84.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.554 ' CB ' HG13 ' A' ' 122' ' ' VAL . 0.5 OUTLIER 85.77 122.76 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 0.727 . . . . 0.0 110.395 -179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.666 ' CB ' ' CE2' ' A' ' 130' ' ' PHE . 1.8 tppt? -143.73 10.56 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.686 ' O ' HD11 ' A' ' 108' ' ' ILE . 8.7 t0 80.98 20.22 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.917 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . 1.052 ' CE1' HD13 ' A' ' 125' ' ' LEU . 73.0 m-85 -51.18 158.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.048 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.561 ' HG3' HD13 ' A' ' 108' ' ' ILE . 69.5 mt-30 -95.08 157.32 15.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.38 150.74 42.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.645 1.216 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 106' ' ' LEU . 23.8 t -133.47 86.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.386 1.054 . . . . 0.0 109.324 179.921 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.627 ' O ' ' N ' ' A' ' 105' ' ' ARG . 3.1 mtp-105 -88.81 144.77 26.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.336 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 1.041 HD13 HD23 ' A' ' 24' ' ' LEU . 3.5 mp -97.57 152.03 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.241 -179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 103' ' ' ARG . . . -105.85 100.47 1.68 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.547 1.155 . . . . 0.0 111.03 -179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.574 ' HB ' ' CE1' ' A' ' 101' ' ' PHE . 1.3 pp -118.79 98.78 6.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.759 . . . . 0.0 109.233 -179.894 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 100' ' ' GLU . . . -117.73 -108.71 2.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.656 ' N ' ' HD3' ' A' ' 140' ' ' PRO . 3.4 tpm_? 67.09 51.06 0.6 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.446 0.733 . . . . 0.0 110.271 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.656 ' HD3' ' N ' ' A' ' 139' ' ' ARG . 18.3 Cg_endo -75.06 155.0 42.6 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.441 1.758 . . . . 0.0 111.061 179.953 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 141' ' ' PRO . . . . . 0.546 ' HD3' ' CD2' ' A' ' 149' ' ' PHE . 18.2 Cg_endo -74.92 -42.48 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -167.31 28.72 0.17 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.35 7.44 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 0.814 . . . . 0.0 110.311 -179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.449 ' CG ' ' HG2' ' A' ' 141' ' ' PRO . 0.0 OUTLIER -58.07 -59.88 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.644 ' CB ' ' HB3' ' A' ' 148' ' ' ALA . 14.7 m-20 -144.97 97.07 4.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.82 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.07 -45.63 63.4 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.644 ' HB3' ' CB ' ' A' ' 145' ' ' ASP . . . -55.37 -39.88 70.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . 0.551 ' CE1' ' OE2' ' A' ' 152' ' ' GLU . 0.6 OUTLIER -76.32 -32.02 58.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.597 ' CG2' HD21 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.87 -31.57 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 20' ' ' THR . 46.4 mt -87.27 20.72 2.66 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.66 ' O ' ' CB ' ' A' ' 153' ' ' ASN . 0.3 OUTLIER -59.36 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 110.293 -179.984 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . 0.66 ' CB ' ' O ' ' A' ' 152' ' ' GLU . 11.0 t30 141.61 47.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 154' ' ' PHE . . . . . 0.749 ' C ' ' HD2' ' A' ' 156' ' ' PRO . 1.2 m-85 -70.98 28.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 155' ' ' THR . . . . . 0.583 ' H ' ' C ' ' A' ' 153' ' ' ASN . 0.7 OUTLIER -22.65 -50.7 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.388 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.749 ' HD2' ' C ' ' A' ' 154' ' ' PHE . 18.5 Cg_endo -74.98 -73.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.545 1.813 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . 0.68 ' HB3' ' CD2' ' A' ' 154' ' ' PHE . . . -45.25 -43.25 10.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 1.146 ' O ' HG13 ' A' ' 162' ' ' VAL . 1.2 mt-10 -69.98 -37.95 75.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 159' ' ' ARG . . . . . 0.934 ' O ' ' HD3' ' A' ' 163' ' ' PRO . 1.1 mmm-85 -52.48 -39.42 61.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.928 ' C ' ' HD2' ' A' ' 163' ' ' PRO . . . -83.35 -27.71 29.51 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.99 ' O ' HG22 ' A' ' 165' ' ' ILE . 28.2 mt-10 -79.15 -37.76 37.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 1.146 HG13 ' O ' ' A' ' 158' ' ' GLU . 4.5 m -62.02 -35.32 20.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 1.061 ' HD3' HG22 ' A' ' 162' ' ' VAL . 18.0 Cg_endo -75.09 -41.64 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.501 ' O ' ' HG2' ' A' ' 167' ' ' GLU . 6.0 m -55.69 -46.76 77.57 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.99 HG22 ' O ' ' A' ' 161' ' ' GLU . 0.0 OUTLIER -78.44 -51.49 17.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.925 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 166' ' ' CYS . . . . . 0.807 ' N ' HD13 ' A' ' 165' ' ' ILE . 40.2 m -51.0 -53.84 29.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 108.259 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.508 ' CG ' ' N ' ' A' ' 168' ' ' GLN . 9.6 pt-20 -58.02 -47.85 81.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 168' ' ' GLN . . . . . 0.592 ' HB3' ' CH2' ' A' ' 191' ' ' TRP . 6.1 mm-40 -63.66 -39.71 95.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 169' ' ' ALA . . . . . 0.883 ' CB ' HD13 ' A' ' 104' ' ' ILE . . . -72.39 -41.24 66.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -53.86 -45.31 70.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 174' ' ' GLU . 13.3 m-20 -69.11 -41.13 77.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 172' ' ' ALA . . . . . 0.608 ' HB2' HG23 ' A' ' 188' ' ' VAL . . . -63.53 -38.27 90.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 2.6 m -63.89 -51.51 64.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 174' ' ' GLU . . . . . 0.453 ' CG ' ' N ' ' A' ' 175' ' ' LEU . 1.2 pt-20 -57.66 -43.54 85.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.352 1.032 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 175' ' ' LEU . . . . . 0.544 ' CD2' ' HB2' ' A' ' 183' ' ' PRO . 0.5 OUTLIER -66.34 -35.97 81.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 176' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 181' ' ' MET . 6.4 tp -55.76 -54.37 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.509 ' HB ' ' HB1' ' A' ' 56' ' ' ALA . 70.0 mt -73.26 -20.05 18.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -64.29 -76.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -106.55 -72.91 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.945 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 180' ' ' GLY . . . . . . . . . . . . . . . -160.2 -159.32 9.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 181' ' ' MET . . . . . 0.687 ' HA ' HD12 ' A' ' 176' ' ' LEU . 14.0 ptt? -100.92 -17.18 16.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . 0.505 ' N ' ' CD ' ' A' ' 183' ' ' PRO . 0.0 OUTLIER -42.33 -51.74 10.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.294 179.966 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.565 ' O ' ' N ' ' A' ' 187' ' ' ARG . 18.2 Cg_endo -74.99 -36.35 2.61 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.517 1.798 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.779 ' O ' ' N ' ' A' ' 188' ' ' VAL . . . -64.99 -44.21 90.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.608 ' O ' ' CB ' ' A' ' 189' ' ' HIS . 3.9 tt0 -67.5 -37.83 83.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.844 ' O ' ' HB2' ' A' ' 190' ' ' ALA . 23.2 t-20 -81.8 -24.27 36.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' A' ' 183' ' ' PRO . 0.1 OUTLIER -97.83 -57.5 2.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 188' ' ' VAL . . . . . 0.779 ' N ' ' O ' ' A' ' 184' ' ' ALA . 0.4 OUTLIER -67.37 -48.23 78.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 189' ' ' HIS . . . . . 0.608 ' CB ' ' O ' ' A' ' 185' ' ' GLN . 0.2 OUTLIER -82.29 15.23 2.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 190' ' ' ALA . . . . . 0.844 ' HB2' ' O ' ' A' ' 186' ' ' ASN . . . -74.83 -44.45 49.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.254 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 191' ' ' TRP . . . . . 0.604 ' CZ3' ' HA ' ' A' ' 188' ' ' VAL . 17.7 p90 . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.921 . . . . . . . . 1 1 . 1 stop_ save_